In situ confinement of CsPbBr3 quantum dots within COFs for enhanced photocatalytic CO2 reduction

Wenjian Lv, Jiacheng Wu, Ren Ma, Zhengqiang Xia, Gang Xie and Sanping Chen

Dalton Trans., 2025, 54, 15281
DOI: 10.1039/D5DT01826A

DFT-Driven Approaches to Optimizing Small Bandgap Doping Structures: A Brief Review

Afaf Ghais Abadi, Mohammed Saif AlSaidi and Wedad Khamis AL Shibli

J Inorg Organomet Polym, 2025, 35, 6130
DOI: 10.1007/s10904-025-03688-6

Two-dimensional γ-GeSe/BlueP heterojunctions for efficient solar energy conversion applications

Hao Huang, Jiabao Wang, Zhiliang Xiang, Quan Li, Xiaojun Zhu, Ling-Ling Wang and Hua Zhang

Surfaces and Interfaces, 2025, 62, 106119
DOI: 10.1016/j.surfin.2025.106119

High carrier mobility and polarization sensitivity of AlN/Hf2CO2 heterojunction photodetector

Zhen Cui, Xin Gao, Shuang Zhang and Lu Wang

Chinese Journal of Physics, 2024, 91, 421
DOI: 10.1016/j.cjph.2024.07.046

Highly Efficient Photocatalytic Hydrogen Evolution of Flower Shaped MoS2‐pCN Composite Supported on Foam Nickel

Lei Sun, Weijia Li, Wanjin Yan, Hai‐Bing Cheng, Zhi Chen, Cong‐Ming Tang, Li Chang and Jun‐Qiang Xu

ChemCatChem, 2025, 17
DOI: 10.1002/cctc.202500900

Investigation of the Structural, Mechanical, Thermal, and Magneto‐Electronic Properties of Promising Ferrite Spinel Oxides XFe2O4 (X = Ge and Sm): A First‐Principle Approach

Tahira Bashir, Khalid M. Alotaibi, Sajad Ali, Hayat Ullah, Kashif Safeen, Akif Safeen, Immad‐Uddin, Yousuf Iqbal and Syed Taj Ud Din

Int J of Quantum Chemistry, 2025, 125
DOI: 10.1002/qua.70009

Photoelectric properties of metallic elements doping and adsorption on graphene/black phosphene heterojunction

Junqing Wen, Fan Yu, Guoxiang Chen, Chun Wang and Si Li

Surfaces and Interfaces, 2024, 52, 104884
DOI: 10.1016/j.surfin.2024.104884

Performance modulation of ZnO/WSSe heterojunction photodetectors via longitudinal stress bending

Xiaoyu Zhao, Yang Shen, Zhen Cui, Ke Qin, Deming Ma, Fengjiao Cheng, Pei Yuan, Xiangfeng Qi and Enling Li

Chinese Journal of Physics, 2025, 98, 137
DOI: 10.1016/j.cjph.2025.08.031

Photocatalytic properties of two-dimensional CdO/ZrS2 heterojunctions:A first-principles study

Deming Ma, Xiaoyu Yang, Huan Li, Yuhu Fu, Enling Li, Lin Zhang, Yang Shen and Zhen Cui

International Journal of Hydrogen Energy, 2024, 96, 369
DOI: 10.1016/j.ijhydene.2024.11.284

The electronic and optical properties of graphdiyne modulated by adsorption of lithium: A first-principles calculation

Wenzhe Cheng, Jing Li, Nan Gao, Hongdong Li and Dongchao Qiu

Materials Today Communications, 2024, 40, 109622
DOI: 10.1016/j.mtcomm.2024.109622

g-ZnO/HfGe2N4 heterojunction: A novel semiconductor for efficient photocatalysis and optoelectronic detector applications

Yang Shen, Xiaoyu Zhao, Zhen Cui, Ke Qin, Deming Ma, Fengjiao Cheng, Pei Yuan, Xiangfeng Qi and Enling Li

Solar Energy, 2025, 297, 113641
DOI: 10.1016/j.solener.2025.113641

Point Defects in Hexagonal SiP Monolayer: A Systematic Investigation on the Electronic and Magnetic Properties

Chu Viet Ha, R Ponce‐Pérez, J. Guerrero‐Sanchez and D. M. Hoat

Advcd Theory and Sims, 2024, 7
DOI: 10.1002/adts.202400320

Influence of the electric field on the electronic structure of flat hexagonal two-dimensional GaN bilayers

R.A. Reyna-Lara, J.D. Correa, K.A. Rodríguez-Magdaleno, F.M. Nava-Maldonado, M.E. Mora-Ramos and J.C. Martínez-Orozco

Materials Today Communications, 2024, 41, 110356
DOI: 10.1016/j.mtcomm.2024.110356

ZnO/Sc2CCl2 van der Waals heterojunction: From atomic scale properties to solar-driven photocatalysis and photodetection

Qinyu Zhu, Zhen Cui and Jing Liu

Ceramics International, 2026, 52, 8133
DOI: 10.1016/j.ceramint.2026.01.021

Adsorption behavior and sensing performance of VOCs on monolayer XC (X=Ge, Si)

Meng Guo, Taifei Zhao and Zhen Cui

Surfaces and Interfaces, 2024, 51, 104607
DOI: 10.1016/j.surfin.2024.104607

d0 magnetism engineering in the low-buckled hexagonal SiS monolayer: A first-principles study

D.M. Hoat and J. Guerrero-Sanchez

Physica B: Condensed Matter, 2024, 691, 416334
DOI: 10.1016/j.physb.2024.416334

First-principles investigation of the ZnO/TiSn2N4 heterojunction: A promising photoresponse material for high-performance photodetectors

Yang Shen, Xiaoyu Zhao, Zhen Cui, Ke Qin, Deming Ma, Fengjiao Cheng, Pei Yuan, Xiangfeng Qi and Enling Li

Applied Surface Science, 2025, 687, 162193
DOI: 10.1016/j.apsusc.2024.162193

Photo-promoted electrocatalytic HER performance of CuS/MnS heterostructure anchored on rGO; Synergistic influences of rGO and light exposure

Amin Salimi, Sohrab Sanjabi, Jaafar Jalilian, Faramarz Kanjouri and Alireza Sabour Rouhaghdam

International Journal of Hydrogen Energy, 2025, 124, 355
DOI: 10.1016/j.ijhydene.2025.03.289

Heterojunctions of Sc2CF2/WS2 and Sc2CF2/WSe2: Theoretical Simulations Reveal Efficient Photocatalytic as well as Photodetection Properties

Pei Yuan, Yang Shen, Deming Ma, Fengjiao Cheng, Shanshan Liu, Ruifeng Chen and Enling Li

J. Phys. Chem. C, 2025, 129, 12332
DOI: 10.1021/acs.jpcc.5c02730

Adsorption behavior of toxic gas molecules on Si9C15: Potential applications as a high-sensitivity and reusable gas sensor

Meng Guo, Taifei Zhao and Zhen Cui

Materials Science in Semiconductor Processing, 2026, 205, 110352
DOI: 10.1016/j.mssp.2025.110352

Electrical Properties and Current-Illumination Characteristics of the SiC/GaN Lateral Heterostructure

Enling Li, Ke Qin, Zhen Cui, Yang Shen, Deming Ma, Pei Yuan and Hanxiao Wang

J. Phys. Chem. C, 2024, 128, 11827
DOI: 10.1021/acs.jpcc.4c01809

GaN/Sc2CF2 heterostructure photodetector with exceptional polarization sensitivity

Zhen Cui, Guoqing Zhang, Shuang Zhang and Lu Wang

Micro and Nanostructures, 2024, 193, 207922
DOI: 10.1016/j.micrna.2024.207922

Empowering wastewater treatment with step scheme heterojunction ternary nanocomposites for photocatalytic degradation of nitrophenol

Zhu Liu, Mah Roosh, Ming Lu, Aqsa Arshad, Wenqi Xian, Yuqiu Shen, Guocong Liu, Ali Bahadur, Shahid Iqbal, Sajid Mahmood and Khalid M. Alotaibi

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-86975-z

Vertical heterojunction photodetector of In2Se3/PtS2 with high polarization sensitivity and tunable electronic characteristics

Yue Wang, Zhen Cui and Chunli Zhang

Materials Today Communications, 2024, 40, 109857
DOI: 10.1016/j.mtcomm.2024.109857

The adsorption characteristic of As2, As2O3, Pb, PbO on double transition-metal pyridine-tetranitrogen-annulene membrane

Xinyu Wang, Yanqing Shen, Xianghui Meng, Xin Yang, Qing Ai, Yong Shuai and Zhongxiang Zhou

Surfaces and Interfaces, 2024, 54, 105197
DOI: 10.1016/j.surfin.2024.105197

High-efficiency photocatalyst and high-response ultraviolet photodetector based on the Ga2SSe@GaN heterojunctions

Ke Qin, Enling Li, Yang Shen, Deming Ma, Pei Yuan, Hanxiao Wang and Zhen Cui

Surfaces and Interfaces, 2024, 52, 104996
DOI: 10.1016/j.surfin.2024.104996

SiC/Hf2CO2 vdWs heterojunction: Type-II narrow-bandgap heterojunction with excellent carrier mobility and photogalvanic effect

Meng Guo, Zhen Cui and Taifei Zhao

Surfaces and Interfaces, 2025, 72, 107055
DOI: 10.1016/j.surfin.2025.107055

Investigating the impact of two-dimensional BC3 membrane geometry on ethane/ethylene separation using molecular dynamics

Masoumeh Attari, Jafar Mahmoudi and Sadegh Sadeghzadeh

Appl. Phys. A, 2024, 130
DOI: 10.1007/s00339-024-08085-3

van der Waals ZnO/HfSn2N4 Heterojunction with Exceptional Photoresponse for Photodetectors

Yang Shen, Xiaoyu Zhao, Zhen Cui, Ke Qin, Deming Ma, Fengjiao Cheng, Pei Yuan, Xiangfeng Qi and Enling Li

ACS Appl. Mater. Interfaces, 2024, 16, 58802
DOI: 10.1021/acsami.4c10486

Modulation of electronic and optical properties of g-CN/XTe2(X=W, Mo) heterojunctions by biaxial strain

Yang Shen, Pei Yuan, Zhihao Yuan, Zhen Cui, Deming Ma, Fengjiao Cheng, Ke Qin, Hanxiao Wang and Enling Li

International Journal of Hydrogen Energy, 2024, 80, 289
DOI: 10.1016/j.ijhydene.2024.07.148

A Roadmap of Sustainable Hydrogen Production and Storage: Innovations and Challenges

Ganesh T. Chavan, Deepak P. Dubal, Eun Chel Cho, Deepak Rajaram Patil, Jin Seog Gwag, Rajneesh Kumar Mishra, Yogendra Kumar Mishra, Jinsung An and Junsin Yi

Small, 2025, 21
DOI: 10.1002/smll.202411444

Direct Z-scheme SnS2/InS heterostructure for efficient visible-light photocatalytic hydrogen evolution

Yifan Yang, Ning-Ci Zhou, Dong-Lan Zhang, Tong Chen, Cheng Gong, Ling-Ling Wang, Kejun Dong and Liang Xu

International Journal of Hydrogen Energy, 2025, 111, 95
DOI: 10.1016/j.ijhydene.2025.02.334

Heterojunction photoelectric device with fast response speed and low power consumption composed of WSSe and AlN

Hanxiao Wang, Zhen Cui, Enling Li, Yang Shen, Ke Qin and Pei Yuan

J. Phys.: Condens. Matter, 2024, 36, 485701
DOI: 10.1088/1361-648X/ad744b

Novel Carbon@BaMoZrFe12O19 photocatalytic peroxymonosulfate activation for ibuprofen removal

Abeer A. AlObaid, Jin Yang, Sajid Mahmood, Ghulam Abbas Ashraf, Noor Hassan, Raqiqa Tur Rasool, Muhammad Adnan, Zeeshan Ajmal and Amna Mir

Vacuum, 2025, 231, 113801
DOI: 10.1016/j.vacuum.2024.113801

Strain Engineering on Electronic Properties, Carrier Mobility and Quantum Capacitance of Si9C15 Siligraphene as Supercapacitor Electrode

Zhi‐Xiang Zhai, Hao‐Xiang Guo, Rui‐Zhou Zhang, Xiao‐Hong Li and Hong‐Ling Cui

Adv Quantum Tech, 2026, 9
DOI: 10.1002/qute.202500803

Bifunctional g-GaN/Si9C15 S-scheme heterojunction for efficient photocatalytic hydrogen evolution and photodetector

Enling Li, Yanbo Dong, Zhen Cui, Yang Shen, Deming Ma, Zhihao Yuan and Kunqi Yang

Applied Surface Science, 2024, 658, 159851
DOI: 10.1016/j.apsusc.2024.159851

Preparation of nitrogen-doped porous carbon from pyrolysis of light bio-oil pretreated poplar powder and its electrochemical performance

Yang Lu, Wei Peng, Zhuangfang Hu, Yinhai Su, Zhe Zhang, Qing Dong, Chuping Luo and Songlin Li

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 698, 134519
DOI: 10.1016/j.colsurfa.2024.134519

Hf2CO2-based heterojunctions for efficient photocatalytic hydrogen production and highly responsive self-powered flexible photodetector

Ke Qin, Enling Li, Yang Shen, Deming Ma, Pei Yuan, Hanxiao Wang and Zhen Cui

Ceramics International, 2024, 50, 42146
DOI: 10.1016/j.ceramint.2024.08.058

SiC/PtSe2 van der Waals heterostructure: A high-efficiency direct Z-scheme photocatalyst for overall water splitting predicted from first-principles study

Jia-Hui Li, Yan Zhang, Shu-Zhuan Sun, Yong-Sen Yang, Yu-Fei Luo and Li Duan

Micro and Nanostructures, 2024, 195, 207953
DOI: 10.1016/j.micrna.2024.207953

The adsorptive, electronic, magnetic and optical performances of lithium-adsorbed 2D graphdiyne-like B–N–C compound: A first-principles calculation

Wenzhe Cheng, Jing Li and Dongchao Qiu

Physica B: Condensed Matter, 2024, 690, 416225
DOI: 10.1016/j.physb.2024.416225

The g-C3N4/CdO heterojunction as an efficient photo-electron catalyst for hydrogen production

Yang Shen, Pei Yuan, Zhihao Yuan, Zhen Cui, Deming Ma, Fengjiao Cheng, Hanxiao Wang, Ke Qin and Enling Li

Physica B: Condensed Matter, 2024, 690, 416269
DOI: 10.1016/j.physb.2024.416269

High sensitivity photodetectors of PtS2/AlN and PtSe2/AlN heterostructures

Chenxing Liu, Zhen Cui, Shuang Zhang and Lu Wang

Journal of Physics and Chemistry of Solids, 2024, 194, 112255
DOI: 10.1016/j.jpcs.2024.112255

Tuning the electronic and optical properties of two-dimensional diboron-porphyrin by strain engineering: A density functional theory investigation

Isaac M. Felix, Fabiano M. Andrade, Cristiano F. Woellner, Douglas S. Galvão and Raphael M. Tromer

Chemical Physics Letters, 2024, 856, 141604
DOI: 10.1016/j.cplett.2024.141604

Electronic structure, photocatalytic and adsorption performance of GaTe/XSe(X=Zn, In) vdW heterstructure by first-principles study

Qing An, Bo Wang, Jing Yang, Xia Zhang and Jiaming Ni

International Journal of Hydrogen Energy, 2024, 89, 84
DOI: 10.1016/j.ijhydene.2024.09.281

Electronic transport and interface properties of FeOCl-type monolayer SnNCl for flexible nanodevices

Yuehua Xu and He Sun

Surfaces and Interfaces, 2025, 65, 106524
DOI: 10.1016/j.surfin.2025.106524