| Molybdenum Trioxide (α-MoO3) Nanoribbons for Ultrasensitive Ammonia (NH3) Gas Detection: Integrated Experimental and Density Functional Theory Simulation … D Kwak, M Wang, KJ Koski, L Zhang, H Sokol, R Maric, Y Lei ACS applied materials & interfaces 11 (11), 10697-10706, 2019 | 204 | 2019 |
| Design of Pt-shell nanoparticles with alloy cores for the oxygen reduction reaction L Zhang, R Iyyamperumal, DF Yancey, RM Crooks, G Henkelman ACS nano 7 (10), 9168-9172, 2013 | 171 | 2013 |
| Catalytic Activity of Pd/Cu Random Alloy Nanoparticles for Oxygen Reduction W Tang, L Zhang, G Henkelman The Journal of Physical Chemistry Letters 2 (11), 1328-1331, 2011 | 165 | 2011 |
| MXene materials for the electrochemical nitrogen reduction—functionalized or not? LR Johnson, S Sridhar, L Zhang, KD Fredrickson, AS Raman, J Jang, ... Acs Catalysis 10 (1), 253-264, 2019 | 158 | 2019 |
| Microwave synthesis of classically immiscible rhodium–silver and rhodium–gold alloy nanoparticles: Highly active hydrogenation catalysts S García, L Zhang, GW Piburn, G Henkelman, SM Humphrey Acs Nano 8 (11), 11512-11521, 2014 | 152 | 2014 |
| Efficient electrocatalytic oxidation of formic acid using Au@ Pt dendrimer-encapsulated nanoparticles R Iyyamperumal, L Zhang, G Henkelman, RM Crooks Journal of the American chemical society 135 (15), 5521-5524, 2013 | 128 | 2013 |
| High cycling stability for solid‐state Li metal batteries via regulating solvation effect in poly (vinylidene fluoride)‐based electrolytes X Zhang, J Han, X Niu, C Xin, C Xue, S Wang, Y Shen, L Zhang, L Li, ... Batteries & Supercaps 3 (9), 876-883, 2020 | 119 | 2020 |
| Activation of ultrathin SrTiO 3 with subsurface SrRuO 3 for the oxygen evolution reaction AR Akbashev, L Zhang, JT Mefford, J Park, B Butz, H Luftman, WC Chueh, ... Energy & Environmental Science 11 (7), 1762-1769, 2018 | 109 | 2018 |
| An experimental and theoretical investigation of the inversion of Pd@ Pt core@ shell dendrimer-encapsulated nanoparticles RM Anderson, L Zhang, JA Loussaert, AI Frenkel, G Henkelman, ... ACS nano 7 (10), 9345-9353, 2013 | 100 | 2013 |
| CO Oxidation at the Au–Cu Interface of Bimetallic Nanoclusters Supported on CeO2(111) L Zhang, HY Kim, G Henkelman The Journal of Physical Chemistry Letters 4 (17), 2943-2947, 2013 | 96 | 2013 |
| A theoretical and experimental approach for correlating nanoparticle structure and electrocatalytic activity RM Anderson, DF Yancey, L Zhang, ST Chill, G Henkelman, RM Crooks Accounts of chemical research 48 (5), 1351-1357, 2015 | 92 | 2015 |
| Asymmetrically Coordinated Cu–N1C2 Single‐Atom Catalyst Immobilized on Ti3C2Tx MXene as Separator Coating for Lithium–Sulfur Batteries H Gu, W Yue, J Hu, X Niu, H Tang, F Qin, Y Li, Q Yan, X Liu, W Xu, Z Sun, ... Advanced Energy Materials 13 (20), 2204014, 2023 | 89 | 2023 |
| A theoretical and experimental examination of systematic ligand-induced disorder in Au dendrimer-encapsulated nanoparticles DF Yancey, ST Chill, L Zhang, AI Frenkel, G Henkelman, RM Crooks Chemical Science 4 (7), 2912-2921, 2013 | 84 | 2013 |
| EON: software for long time simulations of atomic scale systems ST Chill, M Welborn, R Terrell, L Zhang, JC Berthet, A Pedersen, ... Modelling and Simulation in Materials Science and Engineering 22 (5), 055002, 2014 | 83 | 2014 |
| RuCoOx Nanofoam as a High-Performance Trifunctional Electrocatalyst for Rechargeable Zinc–Air Batteries and Water Splitting C Zhou, S Zhao, H Meng, Y Han, Q Jiang, B Wang, X Shi, W Zhang, ... Nano Letters 21 (22), 9633-9641, 2021 | 80 | 2021 |
| Oxygen activation and reaction on Pd–Au bimetallic surfaces WY Yu, L Zhang, GM Mullen, G Henkelman, CB Mullins The Journal of Physical Chemistry C 119 (21), 11754-11762, 2015 | 75 | 2015 |
| Tuning the Oxygen Reduction Activity of Pd Shell Nanoparticles with Random Alloy Cores L Zhang, G Henkelman The Journal of Physical Chemistry C, 2012 | 72 | 2012 |
| Microwave-Assisted Synthesis of PdxAu100–x Alloy Nanoparticles: A Combined Experimental and Theoretical Assessment of Synthetic and Compositional … P Kunal, H Li, BL Dewing, L Zhang, K Jarvis, G Henkelman, ... ACS Catalysis 6 (8), 4882-4893, 2016 | 71 | 2016 |
| Unconventional bilateral compressive strained Ni–Ir interface synergistically accelerates alkaline hydrogen oxidation T Tang, XZ Liu, X Luo, Z Xue, HR Pan, J Fu, ZC Yao, Z Jiang, ZH Lyu, ... Journal of the American Chemical Society 145 (25), 13805-13815, 2023 | 70 | 2023 |
| Au@ Pt dendrimer encapsulated nanoparticles as model electrocatalysts for comparison of experiment and theory DF Yancey, L Zhang, RM Crooks, G Henkelman Chemical Science 3 (4), 1033-1040, 2012 | 68 | 2012 |
Graeme HenkelmanProfessor of Chemistry, University of TexasAdresse e-mail validée de utexas.edu