| Computational methods in heterogeneous catalysis BWJ Chen, L Xu, M Mavrikakis Chemical Reviews 121 (2), 1007-1048, 2020 | 350 | 2020 |
| Zeolite‐Encaged Pd–Mn Nanocatalysts for CO2 Hydrogenation and Formic Acid Dehydrogenation Q Sun, BWJ Chen, N Wang, Q He, A Chang, CM Yang, H Asakura, ... Angewandte Chemie International Edition 59 (45), 20183-20191, 2020 | 260 | 2020 |
| Atomic and Molecular Adsorption on Ag (111) BWJ Chen, D Kirvassilis, Y Bai, M Mavrikakis The Journal of Physical Chemistry C 123 (13), 7551-7566, 2018 | 64 | 2018 |
| Palladium‐Based Nanocatalyst for One‐Pot Synthesis of Polysubstituted Quinolines BWJ Chen, LL Chng, J Yang, Y Wei, J Yang, JY Ying ChemCatChem 5 (1), 277-283, 2013 | 59 | 2013 |
| Formic Acid: A Hydrogen-Bonding Cocatalyst for Formate Decomposition BWJ Chen, M Mavrikakis ACS Catalysis 10 (19), 10812-10825, 2020 | 51 | 2020 |
| Density functional theory study of thermodynamic and kinetic isotope effects of H 2/D 2 dissociative adsorption on transition metals Y Bai*, BWJ Chen*, G Peng, M Mavrikakis Catalysis Science & Technology 8 (13), 3321-3335, 2018 | 34 | 2018 |
| How coverage influences thermodynamic and kinetic isotope effects for H 2/D 2 dissociative adsorption on transition metals BWJ Chen, M Mavrikakis Catalysis Science & Technology 10 (3), 671-689, 2020 | 33 | 2020 |
| Effects of composition and morphology on the hydrogen storage properties of transition metal hydrides: Insights from PtPd nanoclusters BWJ Chen, M Mavrikakis Nano Energy 63, 103858, 2019 | 27 | 2019 |
| Role of Hydrogen-bonded Bimolecular Formic Acid–Formate Complexes for Formic Acid Decomposition on Copper: A Combined First-Principles and Microkinetic Modeling Study BWJ Chen, S Bhandari, M Mavrikakis ACS Catalysis 11 (7), 4349-4361, 2021 | 25 | 2021 |
| Kinetic Isolation between Turnovers on Au18 Nanoclusters: Formic Acid Decomposition One Molecule at a Time BWJ Chen, M Stamatakis, M Mavrikakis ACS Catalysis 9 (10), 9446-9457, 2019 | 24 | 2019 |
| Unraveling the Synergistic Effect of Re and Cs Promoters on Ethylene Epoxidation over Silver Catalysts with Machine Learning-Accelerated First-Principles Simulations BWJ Chen, B Wang, MB Sullivan, A Borgna, J Zhang ACS Catalysis 12 (4), 2540-2551, 2022 | 23 | 2022 |
| Formic Acid Dehydrogenation via an Active Ruthenium Pincer Catalyst Immobilized on Tetra-Coordinated Aluminum Hydride Species Supported on Fibrous Silica Nanospheres L Yaacoub, I Dutta, B Werghi, BWJ Chen, J Zhang, EA Hamad, ... ACS Catalysis 12 (22), 14408-14417, 2022 | 20 | 2022 |
| Accelerating explicit solvent models of heterogeneous catalysts with machine learning interatomic potentials BWJ Chen, X Zhang, J Zhang Chemical Science 14 (31), 8338-8354, 2023 | 15 | 2023 |
| Exploring driving forces for length growth in graphene nanoribbons during chemical vapor deposition of hydrocarbons on Ge (0 0 1) via kinetic Monte Carlo simulations F Göltl, EA Murray, BWJ Chen, RM Jacobberger, MS Arnold, M Mavrikakis Applied Surface Science 527, 146784, 2020 | 13 | 2020 |
| Highly efficient immobilized PN3P-pincer iridium catalyst for dehydrogenation of neat formic acid L Alrais, SS Gholap, I Dutta, E Abou-Hamad, BWJ Chen, J Zhang, ... Applied Catalysis B: Environmental 342, 123439, 2024 | 11 | 2024 |
| An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces SA Tacey, BWJ Chen, T Szilvási, M Mavrikakis Computational Materials Science 186, 110010, 2021 | 11 | 2021 |
| Identification of stable adsorption sites and diffusion paths on nanocluster surfaces: an automated scanning algorithm T Szilvási*, BWJ Chen*, M Mavrikakis npj Computational Materials 5 (1), 1-8, 2019 | 10 | 2019 |
| Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices T Maxson, A Soyemi, BWJ Chen, T Szilvási The Journal of Physical Chemistry C 128 (16), 6524-6537, 2024 | 5 | 2024 |
| Equilibrium and kinetic isotope effects in heterogeneous catalysis: A density functional theory perspective BWJ Chen Catalysis Communications 177, 106654, 2023 | 3 | 2023 |
| Origin of copper as a unique catalyst for C–C coupling in electrocatalytic CO 2 reduction J Chen, BWJ Chen, J Zhang, W Chen, YY Sun Chemical Science 15 (23), 8835-8840, 2024 | 2 | 2024 |