| Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110) JA Gauthier, CF Dickens, LD Chen, AD Doyle, JK Nørskov The Journal of Physical Chemistry C 121 (21), 11455-11463, 2017 | 242 | 2017 |
| Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models JA Gauthier, S Ringe, CF Dickens, AJ Garza, AT Bell, M Head-Gordon, ... ACS Catalysis 9 (2), 920-931, 2018 | 210 | 2018 |
| Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches HH Heenen, JA Gauthier, HH Kristoffersen, T Ludwig, K Chan The Journal of Chemical Physics 152 (14), 2020 | 158 | 2020 |
| Dipole-Field Interactions Determine the CO2 Reduction Activity of 2D Fe–N–C Single-Atom Catalysts S Vijay, JA Gauthier, HH Heenen, VJ Bukas, HH Kristoffersen, K Chan ACS Catalysis 10 (14), 7826-7835, 2020 | 128 | 2020 |
| Unified approach to implicit and explicit solvent simulations of electrochemical reaction energetics JA Gauthier, CF Dickens, HH Heenen, S Vijay, S Ringe, K Chan Journal of chemical theory and computation 15 (12), 6895-6906, 2019 | 122 | 2019 |
| Predicting chemical reaction barriers with a machine learning model AR Singh, BA Rohr, JA Gauthier, JK Nørskov Catalysis Letters 149, 2347-2354, 2019 | 106 | 2019 |
| Solar-driven electrochemical synthesis of ammonia using nitrate with 11% solar-to-fuel efficiency at ambient conditions NC Kani, JA Gauthier, A Prajapati, J Edgington, I Bordawekar, W Shields, ... Energy & Environmental Science 14 (12), 6349-6359, 2021 | 103 | 2021 |
| The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring HH Heenen, H Shin, G Kastlunger, S Overa, JA Gauthier, F Jiao, K Chan Energy & Environmental Science 15 (9), 3978-3990, 2022 | 96 | 2022 |
| Solvent–adsorbate interactions and adsorbate-specific solvent structure in carbon dioxide reduction on a stepped Cu surface T Ludwig, JA Gauthier, KS Brown, S Ringe, JK Nørskov, K Chan The Journal of Physical Chemistry C 123 (10), 5999-6009, 2019 | 80 | 2019 |
| Achievements, challenges, and perspectives on nitrogen electrochemistry for carbon‐neutral energy technologies X Yang, S Mukherjee, T O'Carroll, Y Hou, MR Singh, JA Gauthier, G Wu Angewandte Chemie International Edition 62 (10), e202215938, 2023 | 79 | 2023 |
| Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer LD Chen, M Bajdich, JMP Martirez, CM Krauter, JA Gauthier, EA Carter, ... Nature communications 9 (1), 3202, 2018 | 70 | 2018 |
| The Role of Roughening to Enhance Selectivity to C2+ Products during CO2 Electroreduction on Copper JA Gauthier, JH Stenlid, F Abild-Pedersen, M Head-Gordon, AT Bell ACS Energy Letters 6 (9), 3252-3260, 2021 | 64 | 2021 |
| Electrochemical Reduction of Nitrates on CoO Nanoclusters‐Functionalized Graphene with Highest Mass Activity and Nearly 100% Selectivity to Ammonia (Adv. Energy Mater. 17/2023) NC Kani, NHL Nguyen, K Markel, RR Bhawnani, B Shindel, K Sharma, ... Advanced Energy Materials 13 (17), 2370069, 2023 | 58* | 2023 |
| Practical Considerations for Continuum Models Applied to Surface Electrochemistry JA Gauthier, CF Dickens, S Ringe, K Chan ChemPhysChem 20 (22), 3074-3080, 2019 | 56 | 2019 |
| Facile Electron Transfer to CO2 during Adsorption at the Metal|Solution Interface JA Gauthier, M Fields, M Bajdich, LD Chen, RB Sandberg, K Chan, ... The Journal of Physical Chemistry C 123 (48), 29278-29283, 2019 | 54 | 2019 |
| Pathways for the Formation of C2+ Products under Alkaline Conditions during the Electrochemical Reduction of CO2 JA Gauthier, Z Lin, M Head-Gordon, AT Bell ACS Energy Letters 7 (5), 1679-1686, 2022 | 50 | 2022 |
| Electrolyte effects on the stability of Ni− Mo cathodes for the hydrogen evolution reaction JHJ Wijten, RL Riemersma, J Gauthier, LDB Mandemaker, M Verhoeven, ... ChemSusChem 12 (15), 3491-3500, 2019 | 47 | 2019 |
| Atomistic insight into cation effects on binding energies in Cu-catalyzed carbon dioxide reduction T Ludwig, JA Gauthier, CF Dickens, KS Brown, S Ringe, K Chan, ... The Journal of Physical Chemistry C 124 (45), 24765-24775, 2020 | 33 | 2020 |
| CO2-free high-purity ethylene from electroreduction of CO2 with 4% solar-to-ethylene and 10% solar-to-carbon efficiencies A Prajapati, NC Kani, JA Gauthier, R Sartape, J Xie, I Bessa, MT Galante, ... Cell Reports Physical Science 3 (9), 2022 | 28 | 2022 |
| Challenges for density functional theory: calculation of CO adsorption on electrocatalytically relevant metals CN Lininger, JA Gauthier, WL Li, E Rossomme, VV Welborn, Z Lin, ... Physical Chemistry Chemical Physics 23 (15), 9394-9406, 2021 | 25 | 2021 |
Karen ChanAssociate Professor at Technical University of DenmarkVerified email at fysik.dtu.dk