Hydrogen adsorption on various transition metal (111) surfaces in water: a DFT forecast

Basil Raju Karimadom, Alina Sermiagin, Dan Meyerstein, Tomer Zidki, Amir Mizrahi, Ronen Bar-Ziv and Haya Kornweitz

Phys. Chem. Chem. Phys., 2024, 26, 7647
DOI: 10.1039/D3CP05884K

Atomic strain and catalytic properties of formate oxidation and dehydrogenation in AgPd nanoalloys

Tao Jin, Longfei Guo, Quan Tang, Junpeng Wang, Bowei Pan, Zhen Li, Chongyang Wang, Shuang Shan and Fuyi Chen

Nanoscale, 2023, 15, 11131
DOI: 10.1039/D3NR01221B

“Doing More with Less”: Ni(II)@ORMOSIL, a Novel Sol-Gel Pre-Catalyst for the Reduction of Nitrobenzene

Michael Meistelman, Dan Meyerstein, Ariela Burg, Dror Shamir and Yael Albo

Catalysts, 2021, 11, 1391
DOI: 10.3390/catal11111391

Water Purification by 2‐Dimensional Dodecagonal Nitride and Graphenylene via First Principles Calculations

Hajime Suzuki and Keisuke Takahashi

ChemPhysChem, 2023, 24
DOI: 10.1002/cphc.202300115

First principles study of perfluoroalkyl substance adsorption in M-MOF-74 metal organic frameworks

Daniel Mottern and Joshua Young

Computational Materials Science, 2024, 245, 113334
DOI: 10.1016/j.commatsci.2024.113334

Revolutionary ZVI-Entrapped Sol–Gel Silica Matrices: Efficient Catalytic Reduction of High-Concentration Halo-Organic Compounds—Addressing Bromoacetic Acid Contamination in Industrial Wastewaters

Gifty Sara Rolly, Dan Meyerstein, Ariela Burg, Dror Shamir and Yael Albo

Gels, 2024, 10, 718
DOI: 10.3390/gels10110718

First-Principles Investigation of Surface pKa and the Behavior of Acids at Aqueous–Metal Interfaces

Basil Raju Karimadom, Dan Meyerstein, Amir Mizrahi and Haya Kornweitz

J. Phys. Chem. C, 2024, 128, 21572
DOI: 10.1021/acs.jpcc.4c06554

Hierarchical MXene/SnS2 with honeycomb architecture for high performance anode material of Li-ion batteries

Zhihao Shi, Bingjue Wang, Ziwei Zhang, Han Chen, Yujie Shi, Yulei Sui and Ling Wu

Applied Surface Science, 2025, 711, 164021
DOI: 10.1016/j.apsusc.2025.164021

Spontaneous Formate Oxidation on the 2D Surface Metal Fluoride Interface Reconstructed from the AgPdF Surface

Tao Jin, Longfei Guo, Quan Tang, Junpeng Wang, Bowei Pan, Chongyang Wang, Zhen Li and Fuyi Chen

J. Phys. Chem. C, 2022, 126, 9683
DOI: 10.1021/acs.jpcc.2c01665

The Effect of an Electric Field on the Sliding Friction of the Silicone Rubber against Selected Metals in Motor Base Oils

Marek Głogowski, Daniel Smykowski and Sławomir Pietrowicz

Energies, 2023, 16, 3954
DOI: 10.3390/en16093954

Unveiling New Product Formations beyond Conventional Pathways in De-Halogenation of Halo-Acetic Acids Using Ni-Encapsulated Sol-Gel Catalysts

Kavya Vidyadharan, Dan Meyerstein, Vered Marks, Ariela Burg, Michael Meistelman and Yael Albo

Catalysts, 2024, 14, 596
DOI: 10.3390/catal14090596

Boosting borohydride oxidation by control lattice-strain of Ni@NiP electrocatalyst with core-shell structure

Bihao Hu, Yuxin Xie, Ying Yang, Jiazhi Meng, Jinliang Cai, Changguo Chen, Danmei Yu and Xiaoyuan Zhou

Applied Catalysis B: Environmental, 2023, 324, 122257
DOI: 10.1016/j.apcatb.2022.122257

Copper Takes the Lead: First-Row Transition Metals and Alloys as Catalysts for Halo-Acetic Acids Reduction by Borohydride

Kavya Vidyadharan, Dan Meyerstein, Amir Mizrahi, Ariela Burg and Yael Albo

J. Phys. Chem. C, 2025, 129, 7255
DOI: 10.1021/acs.jpcc.5c00673

Regulating chemical and electronic structure of Ni-based catalysts via introducing heteroatoms for boosting electrochemical oxidation of borohydride

Ying Yang, Zhihong Cui, Caini Yi, Meilin Chen, Hang Yang, Xiaolong Hou, Guimiao Wang, Shuo Wang, Yuping Liu, Guozhong Cao, Danmei Yu and Xiaoyuan Zhou

Chemical Engineering Journal, 2025, 166900
DOI: 10.1016/j.cej.2025.166900

Adsorption of Toxic Metals Using Hydrous Ferric Oxide Nanoparticles Embedded in Hybrid Ion-Exchange Resins

Zizikazi Sodzidzi, Zebron Phiri, Jemal Fito Nure, Titus A. M. Msagati and Lueta-Ann de Kock

Materials, 2024, 17, 1168
DOI: 10.3390/ma17051168

On the mechanism of dehalogenation of methyl halides (Br and Cl) on Ag(111) and Au(111) surfaces: A DFT study

Basil Raju Karimadom, Dan Meyerstein, Amir Mizrahi and Haya Kornweitz

Applied Surface Science, 2023, 615, 156059
DOI: 10.1016/j.apsusc.2022.156059

Vanadium selective separation enhancement from iron in black shale using oxalic acid due to FeS2 (1 0 0) surface passivation: A theoretical and experimental study

Pengcheng Hu, Yimin Zhang and Qiushi Zheng

Journal of Molecular Liquids, 2022, 368, 120627
DOI: 10.1016/j.molliq.2022.120627

Sustainable ZIF‐67/Mo‐MXene‐Derived Nanoarchitecture Synthesis: An Enhanced Durable Performance of Lithium–Selenium Batteries

Sowjanya Vallem, Seunghyun Song, Yoonju Oh and Joonho Bae

Small Methods, 2024
DOI: 10.1002/smtd.202400294

Screening of transition metals for PFAS adsorption: A comparative DFT investigation

Mohamed S. Mohamed, Brian P. Chaplin and Ahmed A. Abokifa

Chemical Engineering Science, 2025, 307, 121363
DOI: 10.1016/j.ces.2025.121363

DFT Study of the BH4− Hydrolysis on Au(111) Surface

Basil Raju Karimadom, Shalaka Varshney, Tomer Zidki, Dan Meyerstein and Haya Kornweitz

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200069

The Contradicting Influences of Silica and Titania Supports on the Properties of Au0 Nanoparticles as Catalysts for Reductions by Borohydride

Gifty Sara Rolly, Alina Sermiagin, Krishnamoorthy Sathiyan, Dan Meyerstein and Tomer Zidki

Catalysts, 2024, 14, 606
DOI: 10.3390/catal14090606

The Effectiveness of Silver and Gold in Catalytic Homogenous and Heterogenous Borohydride Hydrolysis – a DFT Study

Basil Raju Karimadom and Haya Kornweitz

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202400253

Selective single-atom adsorption for precision separation of lead ions in tap water via capacitive deionization

Zhenwei Gao, Luqing Wang, Xingkang Huang, Chris Benmore, Haihui Pu, Jianguo Wen, Wen Zhuang, Maria K.Y. Chan and Junhong Chen

Water Research, 2025, 268, 122665
DOI: 10.1016/j.watres.2024.122665

Chloride converts lead slag into a bifunctional material to remove heavy metals

Gang Zhi, Xianjin Qi, Guizhi Yan, Yongkui Li, Junfeng Wang, Pengna Huang, Heng Wang, JiaHao Shi and Jianhua Wang

Journal of Environmental Management, 2023, 344, 118631
DOI: 10.1016/j.jenvman.2023.118631