| Toward Sabatier optimal for ammonia synthesis with paramagnetic phase of ferromagnetic transition metal catalysts G Xu, C Cai, T Wang Journal of the American Chemical Society 144 (50), 23089-23095, 2022 | 56 | 2022 |
| Antioxidative and stable PdZn/ZnO/Al2O3 catalyst coatings concerning methanol steam reforming for fuel cell-powered vehicles P Yan, P Tian, C Cai, S Zhou, X Yu, S Zhao, ST Tu, C Deng, Y Sun Applied energy 268, 115043, 2020 | 44 | 2020 |
| Development of reaction density functional theory and its application to glycine tautomerization reaction in aqueous solution W Tang, C Cai, S Zhao, H Liu The Journal of Physical Chemistry C 122 (36), 20745-20754, 2018 | 34 | 2018 |
| Machine Learning-Assisted Screening of Stepped Alloy Surfaces for C1 Catalysis X Liu, C Cai, W Zhao, HJ Peng, T Wang ACS Catalysis 12 (8), 4252-4260, 2022 | 32 | 2022 |
| Identification of copper as an ideal catalyst for electrochemical alkyne semi-hydrogenation Z Chen, C Cai, T Wang The Journal of Physical Chemistry C 126 (6), 3037-3042, 2022 | 29 | 2022 |
| Solvent effects on a derivative of 1, 3, 4-oxadiazole tautomerization reaction in water: A reaction density functional theory study W Tang, H Yu, C Cai, T Zhao, C Lu, S Zhao, X Lu Chemical Engineering Science 213, 115380, 2020 | 22 | 2020 |
| Morphology and stress at silicon-glass interface in anodic bonding J Tang, C Cai, X Ming, X Yu, S Zhao, ST Tu, H Liu Applied Surface Science 387, 139-148, 2016 | 20 | 2016 |
| A reaction density functional theory study of the solvent effect in prototype SN 2 reactions in aqueous solution C Cai, W Tang, C Qiao, P Jiang, C Lu, S Zhao, H Liu Physical Chemistry Chemical Physics 21 (45), 24876-24883, 2019 | 17 | 2019 |
| Toward carbon monoxide methanation at mild conditions on dual-site catalysts W Zhao, G Xu, Z He, C Cai, F Abild-Pedersen, T Wang Journal of the American Chemical Society 145 (15), 8726-8733, 2023 | 12 | 2023 |
| A reaction density functional theory study of solvent effect in the nucleophilic addition reactions in aqueous solution C Cai, W Tang, C Qiao, B Bao, P Xie, S Zhao, H Liu Green Energy & Environment 7 (4), 782-791, 2022 | 10 | 2022 |
| Construction of Efficient Cs2AgBiBr6 Perovskite Solar Cells by Enhancing Hole‐Selective Contact with Deep‐Level Dopant‐Free Hole Transport Material M Zhai, L Ma, C Cai, Z Xia, D Peng, L Wang, C Chen, T Wu, Y Hua, ... Advanced Functional Materials, 2315428, 2024 | 9 | 2024 |
| Rational design of catalysts with earth‐abundant elements G Xu, C Cai, W Zhao, Y Liu, T Wang Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (4), e1654, 2023 | 9 | 2023 |
| Improved oxidation of hydrogen off-gas by hydrophobic surface modification: A multiscale density functional theory study C Lian, C Cai, X Shen, S Zhao, X Yu, H Liu Particuology 44, 28-35, 2019 | 5 | 2019 |
| Performance Descriptor of Subsurface Metal-Promoted Boron Catalysts for Low-Temperature Propane Oxidative Dehydrogenation to Propylene X Gao, C Cai, S Tian, S Xu, L Lin, J Shi, C Song, T Wang, D Ma, S Yao Journal of the American Chemical Society 146 (51), 35165-35174, 2024 | | 2024 |
Tao WangWestlake UniversityVerified email at westlake.edu.cn