| 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 | 164 | 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 | 135 | 2018 |
| 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 | 79 | 2019 |
| 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), 144703, 2020 | 76 | 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 | 64 | 2020 |
| Predicting chemical reaction barriers with a machine learning model AR Singh, BA Rohr, JA Gauthier, JK Nørskov Catalysis letters 149, 2347-2354, 2019 | 62 | 2019 |
| 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 | 56 | 2019 |
| 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 | 50 | 2018 |
| 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 | 38 | 2019 |
| Practical Considerations for Continuum Models Applied to Surface Electrochemistry JA Gauthier, CF Dickens, S Ringe, K Chan ChemPhysChem 20 (22), 3074-3080, 2019 | 29 | 2019 |
| 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 | 27 | 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 | 23 | 2021 |
| 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 | 18 | 2021 |
| 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 | 14 | 2020 |
| 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 | 12* | 2022 |
| Micro-kinetic model of electrochemical carbon dioxide reduction over platinum in non-aqueous solvents BA Rohr, AR Singh, JA Gauthier, MJ Statt, JK Nørskov Physical Chemistry Chemical Physics 22 (16), 9040-9045, 2020 | 11 | 2020 |
| Transition metal arsenide catalysts for the hydrogen evolution reaction JA Gauthier, LA King, FT Stults, RA Flores, J Kibsgaard, YN Regmi, ... The Journal of Physical Chemistry C 123 (39), 24007-24012, 2019 | 10 | 2019 |
| 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 | 9 | 2021 |
| 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 | 5 | 2022 |
| Implications of the fractional charge of hydroxide at the electrochemical interface JA Gauthier, LD Chen, M Bajdich, K Chan Physical Chemistry Chemical Physics 22 (13), 6964-6969, 2020 | 5 | 2020 |
Karen ChanAssociate Professor at Technical University of DenmarkVerified email at fysik.dtu.dk
