RSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/en/Journals/Journal/CPRSC - Phys. Chem. Chem. Phys. latest articlesCopyright (c) The Royal Society of ChemistryMon, 11 Mar 2024 14:34:34 ZRSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/content/NewImages/rsc_publishing_logo.gifRSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/en/Journals/Journal/CPhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00483Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00483CRole of Lewis Acid/Base Anchor Atoms in Catalyst Regeneration: A Comprehensive Study on Biomimetic EP3Fe Nitrogenases<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00483C, Paper</div><div>Joseph Kfoury, Julianna Olah<br/>In the quest for sustainable ammonia synthesis routes, biomimetic complexes have been intensively studied. Here we focus on the Peter's group Fe-nitrogenase catalyst with EPPP scorpionate ligands, and explore the...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-11T00:00:00ZJoseph KfouryJulianna Olahhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06053Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06053ECharge carrier transport in PbS films doped with iodine<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06053E, Paper</div><div>Maskaeva Larisa, Andrej Pozdin, Anastasia Pavlova , Yulia Korkh, Tatiana Kuznetsova , Vladimir Voronin, Karina Krivonosova , Tatiana Charikova , Vyacheslav Markov<br/>The results of measurements of electrical and Hall resistivities on polycrystalline PbS films doped with iodine obtained by hydrochemical deposition are presented. The analysis of the temperature dependences of resistivity...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-11T00:00:00ZMaskaeva LarisaAndrej PozdinAnastasia Pavlova Yulia KorkhTatiana Kuznetsova Vladimir VoroninKarina Krivonosova Tatiana Charikova Vyacheslav Markovhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06135Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06135CDehydrogenation of diborane on small Nbn+ clusters<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06135C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06135C, Paper</div><div>Wen Gan, Lijun Geng, Benben Huang, Klavs Hansen, Zhixun Luo<br/>Dehydrogenation of diborane on small Nb<small><sub><em>n</em></sub></small><small><sup>+</sup></small> (1 ≤ <em>n</em> ≤ 21) clusters is studied showing dramatic size dependence to form Nb<small><sub><em>n</em></sub></small>B<small><sub>1–4</sub></small><small><sup>+</sup></small> and Nb<small><sub><em>n</em></sub></small>B<small><sub>x</sub></small>H<small><sub>y</sub></small><small><sup>+</sup></small> products only for 3 ≤ <em>n</em> ≤ 6.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZWen GanLijun GengBenben HuangKlavs HansenZhixun Luohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05902Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05902BInterfacial-interaction induced modifications in segmental dynamics and free volume of the poly(ethyleneimine) canopy in nanoparticle–organic hybrid materials: an investigation by temperature dependent broadband dielectric and positron annihilation spectroscopy<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05902B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05902B, Paper</div><div>Jaideep Mor, Renjith B. Nelliyil, Sandeep Kumar Sharma<br/>Free volume and dynamics of polymer canopy in liquid like nanoparticle–organic hybrid materials depends on the shape of the inorganic nanocores.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZJaideep MorRenjith B. NelliyilSandeep Kumar Sharmahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04369Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04369JNitrogen-rich Ce–N compounds under high pressure<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04369J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04369J, Paper</div><div>Yuan-Yuan Wang, Shuang Liu, Shuang-Chen Lu, Yi Li, Zhen Yao<br/>Four novel Ce nitrides with novel polymeric units are reported for the first time; their outstanding energy densities and detonation properties make them favorable high-energy density materials.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZYuan-Yuan WangShuang LiuShuang-Chen LuYi LiZhen Yaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05372Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05372EComputational insights into the zeolite-supported gold nanocluster-catalyzed ethanol dehydrogenation to acetaldehyde<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05372E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05372E, Paper</div><div>Yi Zhang, Kangjian Tang, Xiaoguang Bao<br/>Herein, computational studies were carried out to gain mechanistic insights into the ethanol dehydrogenation to acetaldehyde under both aerobic and anaerobic conditions catalyzed by silicalite-1 zeolite-encapsulated Au<small><sub>3</sub></small> cluster cation.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-28T00:00:00ZYi ZhangKangjian TangXiaoguang Baohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00174Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00174EKiwi peel waste as a recyclable adsorbent to remove textile dyes from water: Direct Blue 78 removal and recovery<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00174E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00174E, Paper</div><div>Jennifer Gubitosa, Vito Rizzi, Paola Fini, Sergio Nuzzo, Pinalysa Cosma<br/>According to circular bioeconomy principles, the use of kiwi peels to remove Direct Blue 78 (DB) from water is investigated during this work, proposing food waste as a recyclable adsorbent substrate.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZJennifer GubitosaVito RizziPaola FiniSergio NuzzoPinalysa Cosmahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06025Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06025JRelaxation enhancement by microwave irradiation may limit dynamic nuclear polarization<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06025J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06025J, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Gevin von Witte, Aaron Himmler, Sebastian Kozerke, Matthias Ernst<br/>Micro-wave (MW) irradiation of the electrons accelerates the nuclear spin relaxation. For MW irradiation at the frequency of zero dynamic-nuclear polarization (DNP) enhancement, this can be observed directly.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-07T00:00:00ZGevin von WitteAaron HimmlerSebastian KozerkeMatthias Ernsthttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00075Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00075GBromide Substituted 2D Additive for Stable and Efficient Perovskite Photovoltaics<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00075G, Paper</div><div>Muhammad Sohail Abbas, Sabir Hussain, Jianqi Zhang, Boxin Wang, Zhen Wang, Chen Yang, Rashid Ahmad<br/>In this article, a bromide substituted 2D layered perovskite having a repeated vertical orientation and coexisting with a bulk of 3D perovskite is reported for the first time. This novel...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-09T00:00:00ZMuhammad Sohail AbbasSabir HussainJianqi ZhangBoxin WangZhen WangChen YangRashid Ahmadhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05718Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05718FPrecise Molecular Engineering for the Preparation of Pyridinium Photosensitizers with Efficient ROS Generation and Photothermal Conversion<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05718F, Paper</div><div>Weidong Yin, Jianqing Li, Yucheng Ma, Weiqiang Li, Yanping Huo, Zujin Zhao, Shaomin Ji<br/>Organic photosensitizers (PSs) with aggregation-induced emission properties have great development potential in the integrated application of multi-mode diagnosis and treatment of photodynamic therapy (PDT) and photothermal therapy (PTT). However, how...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-09T00:00:00ZWeidong YinJianqing LiYucheng MaWeiqiang LiYanping HuoZujin ZhaoShaomin Jihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00070Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00070FMicrokinetic Study of CO2 Hydrogenation to Methanol on Pd1-Cu(111) and Pd1-Ag(111) Catalysts: A DFT Analysis<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00070F, Paper</div><div>Abdulrauf Onimisi Ibrahim, Wan Mohd Ashri Wan Daud, Muhamad Fazly Abdul Patah, Ahmed Halilu, Joon Ching Juan, Gazali Tanimu<br/>The thermochemical conversion of CO2 into methanol, a process known for its selectivity, often encounters a significant obstacle: the reverse water gas reaction. This problem emerges due to the demanding...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-09T00:00:00ZAbdulrauf Onimisi IbrahimWan Mohd Ashri Wan DaudMuhamad Fazly Abdul PatahAhmed HaliluJoon Ching JuanGazali Tanimuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05736Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05736DThe Human eIF4E:4E-BP2 Complex Structure for Studying the Hyperphosphorylation<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05736D, Paper</div><div>juan zeng, Cuimin Lu, Huang Xuan, Yang Li<br/>The cap-dependent mRNA translation is dysregulated in many kinds of cancers. The interaction between eIF4E and eIF4G through a canonical eIF4E-binding motif (CEBM) determines the efficacy of the cap-dependent mRNA...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00Zjuan zengCuimin LuHuang XuanYang Lihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06125Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06125FDifferent metals (Mn, Fe, Co, Ni, Zr) decorated Cu/CeO2 catalyst for efficient CO oxidation in a rich CO2/H2 atmosphere<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06125F, Paper</div><div>Yue Xing, Jiaxin Wu, Daosheng Liu, Caishun Zhang, Jiao Han, Honghao Wang, Yinfu Li, Xiaoning Hou, Lei Zhang, Zhixian Gao<br/>In this paper, CuM/CeO2(M= Mn, Fe, Co, Ni, Zr) catalysts with a low Cu content of 1 wt% were purposely designed and prepared by co-impregnation method. The samples were characterized...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZYue XingJiaxin WuDaosheng LiuCaishun ZhangJiao HanHonghao WangYinfu LiXiaoning HouLei ZhangZhixian Gaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00441Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00441HNew-Generation Electron-Propagator Methods for Vertical Electron Detachment Energies of Molecular Anions: Benchmarks and Applications to Model Green-Fluorescent-Protein Chromophores<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00441H, Paper</div><div>Ernest Opoku, Filip Pawlowski, Joseph Vincent Ortiz<br/>Ab initio electron-propagator calculations continue to be useful companions to experimental investigations of electronic structure in molecular anions. A new generation of electron-propagator methods recently has surpassed its antecedents’ predictive...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZErnest OpokuFilip PawlowskiJoseph Vincent Ortizhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00175Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00175CCO2 Electroreduction on Single Atom Catalysts: Role of the DFT Functional<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00175C, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Debolina Misra, Giovanni Di Liberto, Gianfranco Pacchioni<br/>One key process with Single Atom Catalysts (SACs) is the electroreduction of CO2 to fuels. The chemistry of SACs differs largely from that of extended catalytic surfaces, and this represents...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZDebolina MisraGiovanni Di LibertoGianfranco Pacchionihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06004Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06004GStrain-induced excellent photocatalytic performance in Z-scheme BlueP/γ-SnS heterostructures for water splitting†<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06004G, Paper</div><div>Quan Li, Jiabao Wang, Hao Huang, Guangting Zhao, Ling-Ling Wang, Xiao-Jun Zhu<br/>Constructing Z-scheme heterojunction photocatalysts with high solar-to-hydrogen (STH) efficiency is a practicable alternative to produce clean and recyclable hydrogen energy on a large scale. This paper presents the design of...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZQuan LiJiabao WangHao HuangGuangting ZhaoLing-Ling WangXiao-Jun Zhuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00296Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00296BSearching for stable copper borozene complexes in CuB7− and CuB8−<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00296B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00296B, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Wei-Jia Chen, Anton S. Pozdeev, Hyun Wook Choi, Alexander I. Boldyrev, Dao-Fu Yuan, Ivan A. Popov, Lai-Sheng Wang<br/>We report the experimental observation and spectroscopic characterization, and structure and bonding analyses of copper–borozene complexes.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZWei-Jia ChenAnton S. PozdeevHyun Wook ChoiAlexander I. BoldyrevDao-Fu YuanIvan A. PopovLai-Sheng Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05710Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05710KAnomalous proton transfer of a photoacid HPTS in nonaqueous reverse micelles<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05710K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05710K, Paper</div><div>Taehyung Jang, Sebok Lee, Yoonsoo Pang<br/>Excited-state proton transfer of a photoacid HPTS becomes solvent-independent in small <em>methanol</em>- and <em>water-in-oil</em> reverse micelles. We attribute anomalous proton transfers from the bulk solutions to the limited solvation dynamics inside the micelles.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZTaehyung JangSebok LeeYoonsoo Panghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00237Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00237GOne-pot hydrothermal synthesis of fluorophore-modified cerium oxide nanoparticles<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00237G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00237G, Paper</div><div>Daria V. Tsyupka, Sergey V. Pigarev, Yuliya A. Podkolodnaya, Ekaterina A. Khudina, Nelli R. Popova, Irina Yu. Goryacheva, Olga A. Goryacheva<br/>Fluorophore-modified cerium oxide nanoparticles (CeO<small><sub>2</sub></small> NPs), which have powerful antioxidant properties and high fluorescence intensity, are promising nanomaterials for the treatment of diseases associated with oxidative stress.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-28T00:00:00ZDaria V. TsyupkaSergey V. PigarevYuliya A. PodkolodnayaEkaterina A. KhudinaNelli R. PopovaIrina Yu. GoryachevaOlga A. Goryachevahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00238Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00238EMicrostrain effects of laser-ablated Au nanoparticles in enhancing CZTS-based 1 Sun photodetector devices<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00238E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00238E, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Serap Yiğit Gezgin, Walid Belaid, Mohamed A. Basyooni-M. Kabatas, Yasin Ramazan Eker, Hamdi Şükür Kilic<br/>A plasmonic 1 Sun photodetector under the influence of Au nanoparticles with fast photodetection capability.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZSerap Yiğit GezginWalid BelaidMohamed A. Basyooni-M. KabatasYasin Ramazan EkerHamdi Şükür Kilichttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05362Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05362HA first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05362H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05362H, Paper</div><div>Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo<br/>An NNP created by active learning explored conformations of sodiated glucose disaccharides; the resulting database of local minima enables simulations of infrared spectra or collision cross sections for ion mobility spectrometry.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZHuu Trong PhanPei-Kang TsouPo-Jen HsuJer-Lai Kuohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06038Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06038AMorphological control and performance engineering of Co-based materials for supercapacitors<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06038A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06038A, Review Article</div><div>Lin Pan, Dan Wang, Jibiao Wang, Yuan Chu, Xiaosong Li, Wenchang Wang, Naotoshi Mitsuzaki, Shuyong Jia, Zhidong Chen<br/>An overview of synthesis methods and performance engineering of Co-based materials is provided.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-24T00:00:00ZLin PanDan WangJibiao WangYuan ChuXiaosong LiWenchang WangNaotoshi MitsuzakiShuyong JiaZhidong Chenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00034Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00034JCan thick metal-halide perovskite single crystals have narrower optical bandgaps with near-infrared absorption?<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00034J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00034J, Perspective</div><div>Mehri Ghasemi, Qianwen Wei, Junlin Lu, Yu Yang, Jingwei Hou, Baohua Jia, Xiaoming Wen<br/>The notable expansion of absorbance of MHP single crystals has been explained by their narrower optical bandgap. We demonstrate that NIR absorption in the MHP single crystals mainly originates from their large thickness and the technical limitation of the spectrophotometer.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-24T00:00:00ZMehri GhasemiQianwen WeiJunlin LuYu YangJingwei HouBaohua JiaXiaoming Wenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00151Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00151FActive control of an electromagnetically induced transparency analogue in a coupled dual bound states in the continuum system integrated with graphene<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00151F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00151F, Paper</div><div>Fan Jiang, Yanxin Lu, Yihang Chen<br/>A novel study on actively controlling electromagnetically induced transparency-like effects in a coupled dual BIC system <em>via</em> graphene is reported.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-21T00:00:00ZFan JiangYanxin LuYihang Chenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00302Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00302KTitanium Nitride-Based Hyperbolic Metamaterial for Near-Infrared Ultrasensitive Sensing of Microbes<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00302K, Paper</div><div>Dip Sarker, Ahmed Zubair<br/>We demonstrated an ultrasensitive microbe sensor for the first time using a titanium nitride (TiN) nanowire-based hyperbolic metamaterial (HMM) structure. We detected the change in the resonance wavelength shift due...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZDip SarkerAhmed Zubairhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06321Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06321FStructure, Stability, Reactivity and Bonding in Noble Gas Compounds<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06321F, Perspective</div><div>Ranita Pal, Pratim Chattaraj<br/>Noble gases (Ngs) are recognized as the least reactive elements due to their fully filled valence electronic configuration. Their reluctance to engage in chemical bond formation necessitates extreme conditions such...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZRanita PalPratim Chattarajhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00361Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00361FInvestigating the behaviour of NaCl brines and hydrocarbons in porous alumina using low-field NMR relaxation and diffusion methods<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00361F, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Aristarchos Mavridis, Mark Sankey, Kuhan Chellappah, Carmine D'Agostino<br/>The behaviour of multiple fluid phases within a porous medium is hard to predict. NMR measurements offer an excellent tool to probe such systems in a fast and non-invasive way....<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZAristarchos MavridisMark SankeyKuhan ChellappahCarmine D'Agostinohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05645Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05645GReactivity of Ts and At Oxides and Oxyhydrides with a Gold Surface from Periodic DFT Calculations<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05645G, Paper</div><div>Anton Ryzhkov, Valeria Pershina, Miroslav Iliaš, Vladimir M. Shabaev<br/>Adsorption energies, Eads, of oxides and oxyhydrides of the superheavy element (SHEs) Ts and of its lighter homologue At on the gold surface are predicted on the basis of relativistic...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZAnton RyzhkovValeria PershinaMiroslav IliašVladimir M. Shabaevhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00665Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00665HUltrafast spectroscopy of the hydrophilic carotenoid crocin at various pH<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00665H, Paper</div><div>Emrah Ozcan, Ivana Simova, David Bina, Radek Litvín, Tomas Polivka<br/>This study delves into the pH-dependent effects on the excited-state behavior of crocin, a hydrophilic carotenoid with diverse functions in biological systems. Steady-state spectroscopy demonstrates notable changes in absorption and...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZEmrah OzcanIvana SimovaDavid BinaRadek LitvínTomas Polivkahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05548Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05548EEnhancing Catalytic Activity of Cr2O3 in CO2-assisted Propane Dehydrogenation with Effective Dopant Engineering: A DFT-Based Microkinetic Simulation<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05548E, Paper</div><div>Faheem Jan, ShuaiKe Zhi, Xiaoying Sun, Bo Li<br/>Using CO2 as a mild oxidizing agent in the propane dehydrogenation (PDH) presents an attractive pathway for the generation of propene while maintaining high selectivity. Cr2O3 is one of the...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZFaheem JanShuaiKe ZhiXiaoying SunBo Lihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04423Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04423HPorous tremella-like NiMoP/CoP network electrodes as an efficient electrocatalyst<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP04423H, Paper</div><div>Jianzhi Wang, Jie Yang, Fuhua Huang, Yuru Li, Yu Luo, Yanan Xue, Ning Cai, Hui Li, Faquan Yu<br/>The design of efficient, stable and cost-effective electrocatalysts for hydrogen evolution reaction holds substantial significance in water electrolysis, but it remains challenging. Tremella-like nickel-molybdenum bimetal phosphide encapsulated cobalt phosphide (NiMoP/CoP)...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZJianzhi WangJie YangFuhua HuangYuru LiYu LuoYanan XueNing CaiHui LiFaquan Yuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06059Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06059DStudy of Two-Photon Absorption and Excited-State Dynamics of Coumarin Derivatives: Effect of Monomeric and Dimeric Structures<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06059D, Paper</div><div>Jidong Jia, Jie Li, Tianwei Zhang, YinLin Lu, Ying-Lin Song<br/>Intramolecular charge transfer (ICT) and π-electron delocalization are two key factors affecting the nonlinear optical absorption of organic molecules. To clarify the different influences of ICT and π-electron delocalization on...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZJidong JiaJie LiTianwei ZhangYinLin LuYing-Lin Songhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00064Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00064ASimilarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00064A, Paper</div><div>Hiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi<br/>Vibrational spectroscopy combined with theoretical calculations is a powerful tool for analyzing the interaction and conformation of peptides at the atomistic level. Nonetheless, identifying the structure becomes increasingly difficult as...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZHiroki OtakiShun-ichi IshiuchiMasaaki FujiiYuji SugitaKiyoshi Yagihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04429Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04429GInfrared spectra and electronic structural changes of DNTF under high pressure: experimental and theoretical studies<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04429G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04429G, Paper</div><div>Hai Nan, Haipeng Su, Chunyan Chen, Yufan Bu, Guotao Niu, Peipei Sun, Fei Shen, Xuanjun Wang<br/>The experimental infrared spectra of DNTF below 800 cm<small><sup>−1</sup></small> are mainly contributed by mixing of the bending, torsion and out-of plane vibration of furoxan rings and furazan rings.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZHai NanHaipeng SuChunyan ChenYufan BuGuotao NiuPeipei SunFei ShenXuanjun Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05353Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05353AAu9 nanocluster adsorption and agglomeration control through sulfur modification of mesoporous TiO2<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05353A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05353A, Paper</div><div>Anahita Motamedisade, Martin R. Johnston, Amjad E.H. Alotaibi, Gunther A. Andersson<br/>In the present work, phenyl phosphine-protected Au<small><sub>9</sub></small> nanoclusters were deposited onto (3-mercaptopropyl) trimethoxysilane (MPTMS) modified and unmodified mesoporous screen printed TiO<small><sub>2</sub></small>. Agglomeration and adsorption of Au clusters were explored using XPS.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZAnahita MotamedisadeMartin R. JohnstonAmjad E.H. AlotaibiGunther A. Anderssonhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06295Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06295COne-step sintering construction of electromagnetic synergistic Co7Fe3/Co@CBC nanocomposites for enhanced microwave absorption properties<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06295C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06295C, Paper</div><div>Yunmin Zhao, Shunlin Su, Zhilong Liu, Jianxin Ren, Lihong Wang, Yude Wang<br/>Based on the synergistic modulation of electromagnetic parameters and microstructure design, multidimensional porous magnetic carbon-based nanocomposites have become ideal materials with efficient absorption properties.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZYunmin ZhaoShunlin SuZhilong LiuJianxin RenLihong WangYude Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00078Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00078AStructure, bonding and electronic characteristics of amorphous Se<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00078A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00078A, Paper</div><div>Chong Qiao, Lanli Chen, Rongchuan Gu, Bin Liu, Shengzhao Wang, Songyou Wang, Cai-Zhuang Wang, Kai-Ming Ho, Ming Xu, Xiangshui Miao<br/>Se atoms present strong but short-range bonding interactions, leading to amorphous Se forming chain structures.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZChong QiaoLanli ChenRongchuan GuBin LiuShengzhao WangSongyou WangCai-Zhuang WangKai-Ming HoMing XuXiangshui Miaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06115Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06115APressure and temperature dependent kinetics and the reaction mechanism of Criegee intermediates with vinyl alcohol: a theoretical study<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06115A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06115A, Paper</div><div>Cuihong Sun, Baoen Xu, Yanli Zeng<br/>The 1,4-insertion is the main channel for the CH<small><sub>2</sub></small>OO + <em>syn</em>-VA reaction, while the cycloaddition is more competitive in the CH<small><sub>2</sub></small>OO + <em>anti</em>-VA reaction. The dissociation products involving OH radicals are formed at higher temperature and lower pressure.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZCuihong SunBaoen XuYanli Zenghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06081Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06081KRational control of the typical surface defects of hybrid perovskite using tetrahexylammonium iodide<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06081K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06081K, Paper</div><div>Ben Wang, Shunwei Yao, Wenjing Hu, Lin Peng, Tingting Shi, Yanan Wang, Jing Chen, Xiaolin Liu, Jia Lin<br/>This study shows an in-depth understanding of the influence of defects on the electronic properties of the surface of FAPbI<small><sub>3</sub></small>, as well as the passivation mechanism of tetrahexylammonium iodide on the surface typical defects of perovskite.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZBen WangShunwei YaoWenjing HuLin PengTingting ShiYanan WangJing ChenXiaolin LiuJia Linhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05957Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05957JProbing the hierarchical dynamics of DNA-sperm nuclear transition protein complex through fuzzy interaction and mesoscale condensation<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05957J, Paper</div><div>Shangqiang Xie, Congran Yue, Sheng Ye, Zhenlu Li<br/>Nuclear transition protein TNP1 is a crucial player mediating histone-protamine exchange in condensing spermatids. A unique combination of intrinsic disorder and multivalent properties turns TNP1 into an ideal agent for...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZShangqiang XieCongran YueSheng YeZhenlu Lihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00218Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00218KUltra-thin Van der Waals Magnetic Tunnel Junction Based on Monoatomic Boron Vacancy of Hexagonal Boron Nitride<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00218K, Paper</div><div>Halimah Harfah, Yusuf Wicaksono, Gagus Ketut Sunnardianto, M. A. Majidi, Koichi Kusakabe<br/>We presents a new strategy to create a van der Waals-based magnetic tunnel junction (MTJ) that consists of a three-atom layer thickness of graphene (Gr) sandwiched with hexagonal boron nitride...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZHalimah HarfahYusuf WicaksonoGagus Ketut SunnardiantoM. A. MajidiKoichi Kusakabehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06050Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06050KModelling the effect of surface charging on plasma synthesis of ammonia using DFT<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06050K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06050K, Paper</div><div>Aditya Dilip Lele, Yijie Xu, Yiguang Ju<br/>Non-equilibrium plasma has been found to have a synergistic effect on catalytic synthesis of NH<small><sub>3</sub></small>.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZAditya Dilip LeleYijie XuYiguang Juhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00048Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00048JDetailed quasiclassical dynamics of the F– + SiH3Cl multi-channel reaction<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00048J, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Attila Á. Dékány, Gabor Czako<br/>We report a detailed quasiclassical trajectory study on the F− + SiH3Cl multi-channel reaction using a full-dimensional ab initio analytical potential energy surface. Reaction probabilities, cross sections, initial attack and...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZAttila Á. DékányGabor Czakohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06101Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06101ATuning the low-temperature phase behavior of aqueous ionic liquids<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06101A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Johannes Bachler, Isabella Daidone, Laura Zanetti-Polzi, Thomas Loerting<br/>Water’s anomalous behavior is often explained using a two-liquid model where two types of water, high-density liquid (HDL) and low-density liquid (LDL) can be separated via a liquid-liquid phase transition...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZJohannes BachlerIsabella DaidoneLaura Zanetti-PolziThomas Loertinghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05203Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05203FAdsorption behavior of H2O on the strontium bromide surface: first-principles and molecular dynamics calculations<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05203F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05203F, Paper</div><div>Zhen Wang, Ting Yan, W. G. Pan<br/>Thermochemical adsorption heat storage based on gas–solid interaction is an energy storage technology for the effective recovery of industrial waste heat and renewable energy sources such as solar energy.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZZhen WangTing YanW. G. Panhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06336Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06336DLow-temperature dissociation of CO2 molecules on vicinal Cu surfaces<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06336D" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06336D, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Takanori Koitaya, Yuichiro Shiozawa, Yuki Yoshikura, Kozo Mukai, Shinya Yoshimoto, Jun Yoshinobu<br/>Dissociation of CO<small><sub>2</sub></small> occurs on vicinal Cu surfaces at temperatures between 80 K and 90 K. This is mainly caused by an oxygen-exchange reaction between CO<small><sub>2</sub></small> and CO promoted by a small amount of coadsorbed oxygen.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZTakanori KoitayaYuichiro ShiozawaYuki YoshikuraKozo MukaiShinya YoshimotoJun Yoshinobuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00341Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00341AModulation of Luminescence Properties of Circularly Polarized Thermally Activated Delayed Fluorescence Molecules with Axial Chirality by Donor Engineering<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00341A, Paper</div><div>Shulei Liu, Songsong Liu, Yang Gao, Lili Lin, Chuankui Wang, Jianzhong Fan, Yuzhi Song<br/>Multifunctional thermally activated delayed fluorescence (TADF) materials are currently a trending research subject for luminescence layer materials of organic light-emitting diodes (OLEDs). Among these, circularly polarized thermally activated delayed fluorescence...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZShulei LiuSongsong LiuYang GaoLili LinChuankui WangJianzhong FanYuzhi Songhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06175Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06175BEffect of the External Electric Field on the ESDPT Process and Photophysical Properties of 1,8-Dihydroxy-2-Naphthalaldehyde<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06175B, Paper</div><div>Xingzhu Tang, Yajie Zhang, Chaofan Sun<br/>In this work, by capitalizing on the density functional theory (DFT) and the time-dependent density functional theory (TD-DFT) methods, it has been systematically studied that the excited state double intramolecular...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZXingzhu TangYajie ZhangChaofan Sunhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05111Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05111KThe SAMPL9 host–guest blind challenge: an overview of binding free energy predictive accuracy<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05111K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05111K, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Martin Amezcua, Jeffry Setiadi, David L. Mobley<br/>We report the results of the SAMPL9 host–guest blind challenge for predicting binding free energies.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZMartin AmezcuaJeffry SetiadiDavid L. Mobleyhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00211Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00211CStable mass-selected AuTiOx nanoparticles for CO oxidation<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00211C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00211C, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Rikke Egeberg Tankard, Filippo Romeggio, Stefan Kei Akazawa, Alexander Krabbe, Olivia Fjord Sloth, Niklas Mørch Secher, Sofie Colding-Fagerholt, Stig Helveg, Richard Palmer, Christian Danvad Damsgaard, Jakob Kibsgaard, Ib Chorkendorff<br/>AuTiO<small><sub><em>x</em></sub></small> nanoparticles with a core–shell structure on TiO<small><sub>2</sub></small> show improved stability for CO oxidation compared to pure Au nanoparticles.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZRikke Egeberg TankardFilippo RomeggioStefan Kei AkazawaAlexander KrabbeOlivia Fjord SlothNiklas Mørch SecherSofie Colding-FagerholtStig HelvegRichard PalmerChristian Danvad DamsgaardJakob KibsgaardIb Chorkendorffhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00203Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00203BMechanical properties of amorphous CO2 hydrates: insights from molecular simulations<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00203B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00203B, Paper</div><div>Pinqiang Cao, Jianyang Wu, Fulong Ning<br/>Structural evolutions of amorphous hydrates are characterized by an ordering phenomenon, providing molecular insights into understanding physicochemical properties of clathrates.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-28T00:00:00ZPinqiang CaoJianyang WuFulong Ninghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00400Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00400KCs+ conductance in graphene membranes with Ångström-scale pores: the role of pore entrance geometry<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00400K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00400K, Paper</div><div>Enrique Wagemann, Na Young Kim, Sushanta K. Mitra<br/>Varying pore entrance geometry reveals up to 100% change in ionic conductance for the transport of Cs<small><sup>+</sup></small> ions in graphene membranes with 3.4 Å pores.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZEnrique WagemannNa Young KimSushanta K. Mitrahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00282Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00282BElectronic structure and magnetothermal properties of two-dimensional ScCl<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00282B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8515-8527<br/><b>DOI</b>: 10.1039/D4CP00282B, Paper</div><div>Hao-Jia Wu, Dan Wang, Hua-Yun Geng, Xiang-Rong Chen<br/>The magnetothermal properties of two-dimensional ScCl are regulated based on carrier concentration and size effects.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZHao-Jia WuDan WangHua-Yun GengXiang-Rong Chenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05689Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05689AThermal controlled multi-functional metasurface for freely switching of absorption, reflection, and transmission<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05689A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8460-8468<br/><b>DOI</b>: 10.1039/D3CP05689A, Paper</div><div>Zhipeng Ding, Wei Su, Lipengan Ye, Yuanhang Zhou, Wenlong Li, Jianfei Zou, Bin Tang, Hongbing Yao<br/>This study introduces a multi-functional metasurface enables real-time control over the transmission, absorption, and reflection of electromagnetic waves as necessitated.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZZhipeng DingWei SuLipengan YeYuanhang ZhouWenlong LiJianfei ZouBin TangHongbing Yaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05780Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05780ASelf-assembly mechanism, physicochemical analyses and application performance investigations of branched alkyl glycosides with alcohol ether carboxylic acids of varied epoxide numbers<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05780A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8448-8459<br/><b>DOI</b>: 10.1039/D3CP05780A, Paper</div><div>Yukai Wang, Zhihui Zhang, Liang Bai, Xiuquan Yang, Yunqin Qi, Jiahao Li, Yuan Zhou, Zhiyu Wu, Ziyu Qin<br/>Alkyl glycosides and fatty alcohol ether carboxylic acids, are known for their biocompatibility, multiresponsiveness, and versatile applications, garnering significant attention in the realms of green and colloid chemistry.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZYukai WangZhihui ZhangLiang BaiXiuquan YangYunqin QiJiahao LiYuan ZhouZhiyu WuZiyu Qinhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04722Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04722ALi-ion intercalation-driven control of two-dimensional magnetism in van der Waals FePS3 bilayers<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04722A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8436-8447<br/><b>DOI</b>: 10.1039/D3CP04722A, Paper</div><div>Dong Chen, Chunlei Wang, Chengxiao Peng<br/>Manipulating two-dimensional (2D) magnetism in layered van der Waals (vdW) materials FePS<small><sub>3</sub></small> (FPS), with its wide-ranging applications in flexible spintronic devices, poses a persistent challenge.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZDong ChenChunlei WangChengxiao Penghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05282Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05282FA new charge transfer pathway in the MoSe2–WSe2 heterostructure under the conditions of B-excitons being resonantly pumped<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05282F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05282F, Paper</div><div>Zifan Hu, Hai Wang, Lei Wang, Haiyu Wang<br/>Using a broadband transient pump–probe absorption technique, we have discovered a novel charge transfer pathway associated with the high-energy state corresponding to the B-exciton in the MoSe<small><sub>2</sub></small>–WSe<small><sub>2</sub></small> heterostructure.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZZifan HuHai WangLei WangHaiyu Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05550Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05550GA triple Fano resonance Si–graphene metasurface for multi-channel tunable ultra-narrow band sensing<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05550G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05550G, Paper</div><div>Jukun Liu, Hongxiang Dai, Jiaqi Ju, Ke Cheng<br/>In this work, a dielectric metasurface composed of a silicon nanodisk etched with a square hole is proposed.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZJukun LiuHongxiang DaiJiaqi JuKe Chenghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05000Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05000AThe influence of the molecular chain length of PVA on the toughening mechanism of calcium silicate hydrates<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05000A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05000A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Luqing Cheng, Yang Zhou, Hao Zhang, Shuai Xiao, Weihuan Li, Wentao Chen<br/>This study employs molecular dynamics techniques to examine the impact of the polyvinyl alcohol (PVA) chain length on the tensile performance and toughening mechanism of C–S–H.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-26T00:00:00ZLuqing ChengYang ZhouHao ZhangShuai XiaoWeihuan LiWentao Chenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06164Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06164GGraphyne-based 3D porous structure and its sandwich-type graphene structure for alkali metal ion battery anode materials<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06164G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8426-8435<br/><b>DOI</b>: 10.1039/D3CP06164G, Paper</div><div>Haidong Liu, Xiaowei Li, Haotian Chen, Jin Chen, Zixun Shi<br/>Here, a three-dimensional (3D) porous structure 3D-PGY was designed based on graphene, and a sandwich structure graphene/PGY/graphene (G/PGY/G) was constructed by adjusting the distance between two layers of graphene with 3D-PGY as the middle layer.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-26T00:00:00ZHaidong LiuXiaowei LiHaotian ChenJin ChenZixun Shihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05570Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05570AVariational quantum eigensolver for closed-shell molecules with non-bosonic corrections<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05570A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8390-8396<br/><b>DOI</b>: 10.1039/D3CP05570A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Kyungmin Kim, Sumin Lim, Kyujin Shin, Gwonhak Lee, Yousung Jung, Woomin Kyoung, June-Koo Kevin Rhee, Young Min Rhee<br/>Bosonic VQE that maps one pair of electrons in one spatial orbital to one single qubit, combined with a pair-crossing heuristic non-bosonic correction leads to favorable scaling in quantum resources and reliable prediction on ground state potential.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-26T00:00:00ZKyungmin KimSumin LimKyujin ShinGwonhak LeeYousung JungWoomin KyoungJune-Koo Kevin RheeYoung Min Rheehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00042Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00042KScintillation properties of lithium-6 salicylate-loaded liquid scintillators<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00042K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00042K, Paper</div><div>Akito Watanabe, Masanori Koshimizu, Kenichi Watanabe, Atsushi Sato, Yutaka Fujimoto, Keisuke Asai<br/>We developed lithium-6 (<small><sup>6</sup></small>LiSal)-loaded liquid scintillators to obtain a high light yield neutron scintillator detector. The highest light yield of 3970 photons per neutron was achieved by reducing non-radiative relaxation of the excited state.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-24T00:00:00ZAkito WatanabeMasanori KoshimizuKenichi WatanabeAtsushi SatoYutaka FujimotoKeisuke Asaihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00109Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00109EHigh-throughput screening of the transport behavior of tetragonal perovskites<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00109E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00109E, Paper</div><div>Yuanyuan Chen, Lu Xiao, Libin Shi, Ping Qian<br/>Halide perovskites have attracted attention due to their low cost and excellent optoelectronic properties.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZYuanyuan ChenLu XiaoLibin ShiPing Qianhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00297Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00297KEnthalpies and entropies of hydration from Monte Carlo simulations<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00297K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8141-8147<br/><b>DOI</b>: 10.1039/D4CP00297K, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>William L. Jorgensen<br/>Changes in free energy, enthalpy, and entropy for transfer of a solute from the gas phase into solution are computed using Monte Carlo simulations in direct and van't Hoff approaches.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZWilliam L. Jorgensenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00213Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00213JInfluence factors of CO adsorption on C2N-supported dual-atom catalysts unveiled by machine learning and twofold feature engineering<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00213J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00213J, Paper</div><div>Shikai Chang, Hongshuai Wang, Yujin Ji, Youyong Li<br/>CO adsorption on dual-atom catalysts was studied by the DFT-ML method. Twofold feature engineering revealed the synergistic effects were related with the last one occupied orbital radius (<em>r</em><small><sub>v</sub></small>) and the group number (<em>G</em>) of transition metal atoms.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZShikai ChangHongshuai WangYujin JiYouyong Lihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP03853Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP03853JPerspective on Coupled-cluster Theory. The evolution toward simplicity in quantum chemistry<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP03853J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8013-8037<br/><b>DOI</b>: 10.1039/D3CP03853J, Perspective</div><div>Rodney J. Bartlett<br/>Coupled-cluster theory has revolutionized quantum chemistry.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-23T00:00:00ZRodney J. Bartletthttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04911Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04911FWeak hydrogen bonding to halogens and chirality communication in propanols: Raman and microwave spectroscopy benchmark theory<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04911F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04911F, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Beppo Hartwig, Melanie Schnell, Martin A. Suhm, Daniel A. Obenchain<br/>Raman and rotational spectroscopy allow us to benchmark different properties with theory and indirectly helps understanding chirality recognition. A possible correlation between OH stretching frequencies and the asymmetry parameter η is explored.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZBeppo HartwigMelanie SchnellMartin A. SuhmDaniel A. Obenchainhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00312Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00312HA density functional theory study on interactions in water-bridged dimeric complexes of lignin<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00312H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00312H, Paper</div><div>Jurgen Lange Bregado, Argimiro R. Secchi, Frederico W. Tavares<br/>The hydrogen bonds and π-stacking interactions cling together syringyl and guaiacyl subunits, promoting the formation of stable water-bridged dimeric complexes in S–G and S-lignins.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZJurgen Lange BregadoArgimiro R. SecchiFrederico W. Tavareshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05453Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05453EComposition design and optimization of Fe–C–Mn–Al steel based on machine learning<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05453E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8219-8227<br/><b>DOI</b>: 10.1039/D3CP05453E, Paper</div><div>Hong Cheng, Zhongping He, Meiling Ge, Lun Che, Kaiyuan Zheng, Tianyu Si, Feng Zhao<br/>The purpose of this study is to explore the composition space of Fe–C–Mn–Al steel using machine learning in order to identify materials with high-strength mechanical properties.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZHong ChengZhongping HeMeiling GeLun CheKaiyuan ZhengTianyu SiFeng Zhaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06273Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06273BNiSe2/CeO2 catalysts from Ce-UiO-66 metal–organic skeletons and their electrocatalytic oxidation of methanol, urea and glycerol<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06273B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06273B, Paper</div><div>Jiaqi Huo, Ying Chang, Aiju Xu, Meilin Jia, Jingchun Jia<br/>NiSe<small><sub>2</sub></small>/CeO<small><sub>2</sub></small> catalysts from Ce-UiO-66 metal-organic skeleton by Ce-UiO-66 metal-organic skeleton, showed high catalytic activity for methanol oxidation (MOR), urea oxidation (UOR) and glycerol oxidation (GOR), which provides an effective way to design nickel-based catalysts for electrooxidation.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZJiaqi HuoYing ChangAiju XuMeilin JiaJingchun Jiahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05690Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05690BStudy on the solid–liquid equilibrium and thermodynamic model of the L-phenylalanine + L-tryptophan + water system<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05690B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05690B, Paper</div><div>Weiping Liu, Hongfei Xiang, Yisong Wang, Xia Li, Yahui Yin, Yu Zhou, Xianzhen Xu<br/>The phase diagram of solid–liquid equilibrium of amino acid aqueous solution in a ternary system is used in the separation and purification process.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZWeiping LiuHongfei XiangYisong WangXia LiYahui YinYu ZhouXianzhen Xuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04706Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04706GBoron-containing fullerene-based salts with cyclic carbonate solvents as electrolytes for Li-ion batteries and beyond<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04706G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04706G, Paper</div><div>Piyusaranjan Giri, Sourab Barath V., Shakuntala Dhurua, Sankar Maity, Rabiul Gazi, Madhurima Jana<br/>Introducing B-doped fullerene-based, C<small><sub>59</sub></small>B<small><sup>−</sup></small>, and C<small><sub>58</sub></small>B<small><sub>2</sub></small><small><sup>2−</sup></small> counteranions of Li<small><sup>+</sup></small>, Na<small><sup>+</sup></small>, and Mg<small><sup>2+</sup></small> to act as emerging electrolytes in cyclic carbonate solvents for metal-ion batteries.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-22T00:00:00ZPiyusaranjan GiriSourab Barath V.Shakuntala DhuruaSankar MaityRabiul GaziMadhurima Janahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05706Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05706BNano-protrusions in intercalated graphite: understanding the structural and electronic effects through DFT<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05706B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05706B, Paper</div><div>Hussam Bouaamlat, Ari Paavo Seitsonen, Gianlorenzo Bussetti, Rossella Yivlialin, Stefania De Rosa, Paolo Branchini, Luca Tortora<br/>EC-STM and DFT were combined to understand the formation of nanoprotrusions in HOPG samples intercalated with diluted perchloric and sulfuric acid electrolytes.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-21T00:00:00ZHussam BouaamlatAri Paavo SeitsonenGianlorenzo BussettiRossella YivlialinStefania De RosaPaolo BranchiniLuca Tortorahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06247Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06247CA strategy for boosting photovoltaic performance based on a two-dimensional ZrSSe/HfSSe van der Waals heterostructure<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06247C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8539-8546<br/><b>DOI</b>: 10.1039/D3CP06247C, Paper</div><div>Keying Han, Defeng Guo, Yuxin Han, Pei Zhao, Yan Liang, Qiang Wang<br/>A strategy for boosting photovoltaic performance: a novel and adjustable two-dimensional ZrSSe/HfSSe van der Waals heterostructure with band alignment phase transitions from type-I to type-II and significantly larger photocurrents around the band gap <em>via</em> applying a vertical strain.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-21T00:00:00ZKeying HanDefeng GuoYuxin HanPei ZhaoYan LiangQiang Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00067Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00067FSynergetic interfacial conductivity modulation dictating hysteresis evolution in perovskite solar cells under operation<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00067F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8366-8379<br/><b>DOI</b>: 10.1039/D4CP00067F, Paper</div><div>Rana Yekani, Han Wang, Stephanie Bessette, Raynald Gauvin, George Demopoulos<br/>The influence of ETL architecture on the fill factor (FF) variation under light soaking and slow scan speed of 10 mV s<small><sup>−1</sup></small>, on the corresponding PSCs.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-20T00:00:00ZRana YekaniHan WangStephanie BessetteRaynald GauvinGeorge Demopouloshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05394Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05394F[Ag(Sn9–Sn9)]5− and [(η4-Sn9)Ag(η1-Sn9)]7−, as aggregates of spherical aromatic building blocks. Persistence of aromaticity upon cluster gathering<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05394F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8419-8425<br/><b>DOI</b>: 10.1039/D3CP05394F, Paper</div><div>Peter L. Rodríguez-Kessler, Alvaro Muñoz-Castro<br/>Formation of cluster-based materials requires a fundamental understanding of the resulting cluster aggregation processes.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-20T00:00:00ZPeter L. Rodríguez-KesslerAlvaro Muñoz-Castrohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06192Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06192BCyclic ion mobility of doped [MAu24L18]2− superatoms and their fragments (M = Ni, Pd and Pt; L = alkynyl)<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06192B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8408-8418<br/><b>DOI</b>: 10.1039/D3CP06192B, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Frank Hennrich, Shun Ito, Patrick Weis, Marco Neumaier, Shinjiro Takano, Tatsuya Tsukuda, Manfred M. Kappes<br/>High resolution ion mobility spectrometry was used to probe the structure and fragmentation of transition metal doped gold cluster superatoms stabilized by alkyne ligands.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-20T00:00:00ZFrank HennrichShun ItoPatrick WeisMarco NeumaierShinjiro TakanoTatsuya TsukudaManfred M. Kappeshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06077Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06077BDesign of high performance nitrogen reduction electrocatalysts by doping defective polyoxometalate with a single atom promoter<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06077B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8494-8503<br/><b>DOI</b>: 10.1039/D3CP06077B, Paper</div><div>Linghui Lin, Ruijie Ma, Rong Jiang, Sen Lin<br/>A new strategy is proposed for designing efficient catalysts for electrocatalytic nitrogen reduction by introducing single atom promoters.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-20T00:00:00ZLinghui LinRuijie MaRong JiangSen Linhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06186Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06186HA DFT study of CO2 electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06186H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8356-8365<br/><b>DOI</b>: 10.1039/D3CP06186H, Paper</div><div>Dušan N. Sredojević, Ivana Vukoje, Đorđe Trpkov, Edward N. Brothers<br/>Hexagonal boron nitride (h-BN) lattices with vacancy defects could enable effective CO<small><sub>2</sub></small> electroreduction into valuable products: methanol and methane.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-20T00:00:00ZDušan N. SredojevićIvana VukojeĐorđe TrpkovEdward N. Brothershttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05824Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05824GGroup-IIIA element doped BaSnS2 as a high efficiency absorber for intermediate band solar cell from a first-principles insight<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05824G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8380-8389<br/><b>DOI</b>: 10.1039/D3CP05824G, Paper</div><div>Yang Xue, Changqing Lin, Jiancheng Zhong, Dan Huang, Clas Persson<br/>With the help of the isolated and half-filled intermediate bands in Group-IIIA element doped BaSnS<small><sub>2</sub></small>, the optical absorption coefficients in visible light region are enhanced and the corresponding theoretical efficiencies are increased.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-19T00:00:00ZYang XueChangqing LinJiancheng ZhongDan HuangClas Perssonhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04996Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04996EMechanistic insights into the co-recovery of nickel and iron via integrated carbon mineralization of serpentinized peridotite by harnessing organic ligands<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04996E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04996E, Paper</div><div>Shreya Katre, Prince Ochonma, Hassnain Asgar, Archana M Nair, Ravi K, Greeshma Gadikota<br/>Mechanisms underlying co-recovery of energy critical metals and carbon mineralization by harnessing organic ligands are uncovered by investigating the influence of chemical and mineral heterogeneity and the morphological transformations of minerals.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-19T00:00:00ZShreya KatrePrince OchonmaHassnain AsgarArchana M NairRavi KGreeshma Gadikotahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05930Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05930HKinetic study of the CN + C2H6 hydrogen abstraction reaction based on an analytical potential energy surface<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05930H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8344-8355<br/><b>DOI</b>: 10.1039/D3CP05930H, Paper</div><div>Joaquin Espinosa-Garcia, Somnath Bhowmick<br/>In this study, we perform kinetic analysis, including the kinetic isotope effect, and explore the role of the intermediate complex on the rate constant for the CN + C<small><sub>2</sub></small>H<small><sub>6</sub></small> gas-phase hydrogen abstraction reaction using very accurate theoretical tools.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-16T00:00:00ZJoaquin Espinosa-GarciaSomnath Bhowmickhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00029Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00029CBreaking the plane: B5H5 is a three-dimensional structure<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00029C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8089-8093<br/><b>DOI</b>: 10.1039/D4CP00029C, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Gerardo Hernández-Juárez, Jorge Barroso, Alejandro Vásquez-Espinal, Filiberto Ortíz-Chi, William Tiznado, Fernando Murillo, Gabriel Merino<br/>Contrary to prior assumptions, the global minimum structure of B<small><sub>5</sub></small>H<small><sub>5</sub></small> is not quasi-planar but rather an asymmetrical three-dimensional form.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-16T00:00:00ZGerardo Hernández-JuárezJorge BarrosoAlejandro Vásquez-EspinalFiliberto Ortíz-ChiWilliam TiznadoFernando MurilloGabriel Merinohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06184Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06184ASpodium bonding with noble gas atoms<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06184A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8115-8124<br/><b>DOI</b>: 10.1039/D3CP06184A, Paper</div><div>Farnaz Yashmin, Lakhya J. Mazumder, Pankaz K. Sharma, Ankur K. Guha<br/>The nature of the bonding between a neutral group 12 member (Zn<small><sub>3</sub></small>, Cd<small><sub>3</sub></small> and Hg<small><sub>3</sub></small>) ring and a noble gas atom was explored using quantum chemical simulations.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-16T00:00:00ZFarnaz YashminLakhya J. MazumderPankaz K. SharmaAnkur K. Guhahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05870Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05870KHow space-charge behaviour at grain boundaries in electroceramic oxides is modified by two restricted equilibria<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05870K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8287-8298<br/><b>DOI</b>: 10.1039/D3CP05870K, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>A. L. Usler, F. Ketter, R. A. De Souza<br/>Through continuum simulations, the fundamental differences in grain-boundary properties in acceptor-doped SrTiO<small><sub>3</sub></small> obtained from imaging and electrical measurements are elucidated.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-16T00:00:00ZA. L. UslerF. KetterR. A. De Souzahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06141Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06141HAxial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06141H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8094-8105<br/><b>DOI</b>: 10.1039/D3CP06141H, Paper</div><div>Hanwei Li, Eric Brémond, Juan Carlos Sancho-García, Ángel José Pérez-Jiménez, Giovanni Scalmani, Michael J. Frisch, Carlo Adamo<br/>The axial–equatorial equilibrium in mono-substituted cyclohexanes, governed by the interplay of London dispersion and steric repulsion, is a textbook example that many density functional approximations cannot easily handle.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-15T00:00:00ZHanwei LiEric BrémondJuan Carlos Sancho-GarcíaÁngel José Pérez-JiménezGiovanni ScalmaniMichael J. FrischCarlo Adamohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00059Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00059EOxidative stress induced conformational changes of human serum albumin<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00059E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8528-8538<br/><b>DOI</b>: 10.1039/D4CP00059E, Paper</div><div>Debdip Brahma, Akshay Narayan Sarangi, Rupal Kaushik, Amar Nath Gupta<br/>Oxidative stress, generated by reactive oxygen species (ROS), is responsible for the loss of structure and functionality of proteins and is associated with several aging-related diseases.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-15T00:00:00ZDebdip BrahmaAkshay Narayan SarangiRupal KaushikAmar Nath Guptahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04290Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04290AProduction and transport of plasma-generated hydrogen peroxide from gas to liquid<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04290A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8255-8272<br/><b>DOI</b>: 10.1039/D3CP04290A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Steffen Schüttler, Anna Lena Schöne, Emanuel Jeß, Andrew R. Gibson, Judith Golda<br/>The transport of H<small><sub>2</sub></small>O<small><sub>2</sub></small> and OH from an atmospheric pressure plasma jet to a liquid sample are investigated using multiple detection techniques and a plasma-chemical global model. Scaling and formation pathways species are presented and discussed.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-15T00:00:00ZSteffen SchüttlerAnna Lena SchöneEmanuel JeßAndrew R. GibsonJudith Goldahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05630Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05630ASelf-propelled motion controlled by ionic liquids<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05630A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8488-8493<br/><b>DOI</b>: 10.1039/D3CP05630A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Er Hua, Jun Gao, Yu Xu, Muneyuki Matsuo, Satoshi Nakata<br/>We studied the self-propulsion of a camphor disk floating on a water surface using two types of ionic liquids (hexylammonium-trifluoroacetate (HHexam-TFA) and hexylethylenediaminium-trifluoroacetate (HHexen-TFA)).<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-15T00:00:00ZEr HuaJun GaoYu XuMuneyuki MatsuoSatoshi Nakatahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04602Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04602HPhoto-excited charge transfer from adamantane to electronic bound states in water<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04602H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8158-8176<br/><b>DOI</b>: 10.1039/D3CP04602H, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Xiangfei Wang, Pascal Krause, Thorren Kirschbaum, Karol Palczynski, Joachim Dzubiella, Annika Bande<br/>Water clusters accommodate electrons from photo-excited adamantane into two types of charge-transfer states. The electron gets more strongly bound the higher the water clusters’ electron affinity and their electrostatic potential.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZXiangfei WangPascal KrauseThorren KirschbaumKarol PalczynskiJoachim DzubiellaAnnika Bandehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00098Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00098FA quantum-chemical insight into SOMO–HOMO conversion in phosphorus–boron cation radicals<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00098F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8273-8286<br/><b>DOI</b>: 10.1039/D4CP00098F, Paper</div><div>Li Zhang, Hongbo Li, Yanbin Zhu, Shoufeng Zhang<br/>The present study systematically investigates a series of phosphorus–boron cation radicals with SOMO–HOMO conversion electronic configurations and exceptional photophysical properties.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZLi ZhangHongbo LiYanbin ZhuShoufeng Zhanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05833Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05833FComputational approach to enhance thermoelectric performance of Ag2Se by S and Te substitutions<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05833F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05833F, Paper</div><div>Raju K Biswas, Swapan K Pati<br/>Rashba effect and high configuration entropy lead high thermoelectric figure of merit at near room temperature.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZRaju K BiswasSwapan K Patihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06165Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06165EInvestigation on the mechanical integrity of a PEO-based polymer electrolyte in all-solid-state lithium batteries<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06165E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8125-8140<br/><b>DOI</b>: 10.1039/D3CP06165E, Paper</div><div>Qinghua Yang, Detao Kong, Liang Fu, Yaolong He, Hongjiu Hu<br/>Appropriately increasing the operating temperature and quenching rate helps maintain the mechanical integrity of the PEO–LiTFSI electrolyte during cell operation, but it degrades the interfacial bonding properties of the SPE and the electrode.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZQinghua YangDetao KongLiang FuYaolong HeHongjiu Huhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05480Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05480BOxidative cage opening in the C70 fullerene facilitated by preceding trifluoromethylation<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05480B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8038-8042<br/><b>DOI</b>: 10.1039/D3CP05480B, Communication</div><div>Sofia V. Gracheva, Nadezhda B. Tamm, Konstantin A. Lyssenko, Ilya N. Ioffe, Natalia S. Lukonina, Alexey A. Goryunkov<br/>Two novel derivatives of the C<small><sub>70</sub></small> fullerene with 9- and 10-membered cage openings in the less-reactive equatorial region of the molecule were obtained by means of oxidation and decarbonylation of <em>C</em><small><sub>s</sub></small>-C<small><sub>70</sub></small>(CF<small><sub>3</sub></small>)<small><sub>8</sub></small>.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZSofia V. GrachevaNadezhda B. TammKonstantin A. LyssenkoIlya N. IoffeNatalia S. LukoninaAlexey A. Goryunkovhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05845Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05845JMatrix effects on the magnetic properties of a molecular spin triangle embedded in a polymeric film<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05845J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8043-8050<br/><b>DOI</b>: 10.1039/D3CP05845J, Communication</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Lorenzo Tesi, Athanassios K. Boudalis, Katja Drerup, Mario Ruben, Joris van Slageren<br/>Complex [Fe<small><sub>3</sub></small>O(O<small><sub>2</sub></small>CPh)<small><sub>6</sub></small>(py)<small><sub>3</sub></small>]ClO<small><sub>4</sub></small>·py embedded in a polymeric film retains its structure and magnetic properties, while probing its local environment through slight modifications of its magnetoanisotropy.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZLorenzo TesiAthanassios K. BoudalisKatja DrerupMario RubenJoris van Slagerenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06010Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06010APrediction of intrinsic room-temperature ferromagnetism in two-dimensional CrInX2 (X = S, Se, Te) monolayers<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06010A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8183-8194<br/><b>DOI</b>: 10.1039/D3CP06010A, Paper</div><div>Yunfei Zhang, Shuo Zhang, Minghao Jia, Tian Wang, Lixiu Guan, Junguang Tao<br/>Novel structure of two-dimensional CrInX<small><sub>2</sub></small> (X = S, Se, Te) with intrinsic room-temperature ferromagnetism.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZYunfei ZhangShuo ZhangMinghao JiaTian WangLixiu GuanJunguang Taohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06105Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06105ARealization of multifunctional transformation based on the vanadium dioxide-assisted metamaterial structure<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06105A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8247-8254<br/><b>DOI</b>: 10.1039/D3CP06105A, Paper</div><div>Xuehui Weng, Dexian Yan, Yu Qiu, Xiangjun Li, Le Zhang, Jining Li<br/>A multifunctional device and a design method are proposed based on the vanadium dioxide (VO<small><sub>2</sub></small>)-assisted metamaterial structure.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZXuehui WengDexian YanYu QiuXiangjun LiLe ZhangJining Lihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00231Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00231HSymmetry constraints on the orientation dependence of high-order elastic constants for the hexagonal boron nitride monolayer<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00231H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8228-8236<br/><b>DOI</b>: 10.1039/D4CP00231H, Paper</div><div>Dong-Jian Yang, Peng Wei, Jin-Wu Jiang<br/>Group theory was utilized to study the orientation dependence of high-order elastic constants of h-BN, and the anisotropic effects induced by nonlinear Poisson phenomena using anisotropic elastic constants were investigated.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZDong-Jian YangPeng WeiJin-Wu Jianghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06335Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06335FTheoretical investigation of multi-spin excited states of anthracene radical-linked π-conjugated spin systems by computational chemistry<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06335F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8106-8114<br/><b>DOI</b>: 10.1039/D3CP06335F, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Ken Kato, Yoshio Teki<br/>Exchange interactions, <em>g</em>-values, and fine-structure splitting in the multi-spin excited states of anthracene radical-linked π-conjugated spin systems are calculated by DFT method. Dependence on radical species, π-topology, and linker are revealed.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-14T00:00:00ZKen KatoYoshio Tekihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05871Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05871AThe dawn of hydrogen and halogen bonds and their crucial role in collisional processes probing long-range intermolecular interactions<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05871A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,7971-7987<br/><b>DOI</b>: 10.1039/D3CP05871A, Perspective</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>David Cappelletti, Stefano Falcinelli, Fernando Pirani<br/>Concerted glory scattering experiments and quantum mechanical calculations allow to detect the emergence of hydrogen bonding (HB) and halogen bonding (XB) at long intermolecular distances; the case of Cl<small><sub>2</sub></small>–H<small><sub>2</sub></small>O is shown where both HB and XB are operative.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-13T00:00:00ZDavid CappellettiStefano FalcinelliFernando Pirani