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Joseph A Gauthier - Publications

Affiliations: 
LBNL/UC Berkeley 
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20 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Kang R, Zhao Y, Hait D, Gauthier JA, Kempler PA, Thurman KA, Boettcher SW, Head-Gordon M. Understanding ion-transfer reactions in silver electrodissolution and electrodeposition from first-principles calculations and experiments. Chemical Science. 15: 4996-5008. PMID 38550699 DOI: 10.1039/d3sc05791g  0.395
2024 Lalith N, Singh A, Gauthier JA. The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300933. PMID 38517585 DOI: 10.1002/cphc.202300933  0.687
2022 Yang X, Mukherjee S, O'Carroll T, Hou Y, Singh MR, Gauthier JA, Wu G. Achievements, Challenges, and Perspectives on Nitrogen Electrochemistry for Carbon-Neutral Energy Technologies. Angewandte Chemie (International Ed. in English). e202215938. PMID 36507657 DOI: 10.1002/anie.202215938  0.577
2022 Vijay S, Kastlunger G, Gauthier JA, Patel A, Chan K. Force-Based Method to Determine the Potential Dependence in Electrochemical Barriers. The Journal of Physical Chemistry Letters. 5719-5725. PMID 35713626 DOI: 10.1021/acs.jpclett.2c01367  0.342
2021 Lininger CN, Gauthier JA, Li WL, Rossomme E, Welborn VV, Lin Z, Head-Gordon T, Head-Gordon M, Bell AT. Challenges for density functional theory: calculation of CO adsorption on electrocatalytically relevant metals. Physical Chemistry Chemical Physics : Pccp. 23: 9394-9406. PMID 33885049 DOI: 10.1039/d0cp03821k  0.61
2020 Rohr BA, Singh AR, Gauthier JA, Statt MJ, Nørskov JK. Micro-kinetic model of electrochemical carbon dioxide reduction over platinum in non-aqueous solvents. Physical Chemistry Chemical Physics : Pccp. PMID 32296799 DOI: 10.1039/C9Cp05751J  0.702
2020 Heenen HH, Gauthier JA, Kristoffersen HH, Ludwig T, Chan K. Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches. The Journal of Chemical Physics. 152: 144703. PMID 32295363 DOI: 10.1063/1.5144912  0.49
2020 Gauthier JA, Chen LD, Bajdich M, Chan K. Implications of the fractional charge of hydroxide at the electrochemical interface. Physical Chemistry Chemical Physics : Pccp. PMID 32186292 DOI: 10.1039/C9Cp05952K  0.696
2020 Vijay S, Gauthier JA, Heenen HH, Bukas VJ, Kristoffersen HH, Chan K. Dipole-field interactions determine the CO2 reduction activity of 2D Fe-N-C single atom catalysts Acs Catalysis. 10: 7826-7835. DOI: 10.1021/Acscatal.0C01375  0.307
2019 Gauthier JA, Dickens CF, Heenen HH, Sudarshan V, Ringe S, Chan K. Unified approach to implicit and explicit solvent simulations of electrochemical reaction energetics. Journal of Chemical Theory and Computation. PMID 31689089 DOI: 10.1021/Acs.Jctc.9B00717  0.475
2019 Gauthier J, Dickens C, Ringe S, Chan K. Practical Considerations for Continuum Models Applied to Surface Electrochemistry. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31317628 DOI: 10.1002/Cphc.201900536  0.47
2019 Wijten J, Riemersma R, Gauthier J, Mandemaker L, Verhoeven T, Hofmann J, Chan K, Weckhuysen BM. Electrolyte Effects on the Stability of Ni-Mo Cathodes for the Hydrogen Evolution Reaction. Chemsuschem. PMID 31095900 DOI: 10.1002/Cssc.201900617  0.386
2019 Gauthier JA, Fields M, Bajdich M, Chen LD, Sandberg RB, Chan K, Nørskov JK. Facile Electron Transfer to CO2 during Adsorption at the Metal|Solution Interface The Journal of Physical Chemistry C. 123: 29278-29283. DOI: 10.1021/Acs.Jpcc.9B10205  0.691
2019 Gauthier JA, King LA, Stults FT, Flores RA, Kibsgaard J, Regmi YN, Chan K, Jaramillo TF. Transition Metal Arsenide Catalysts for the Hydrogen Evolution Reaction The Journal of Physical Chemistry C. 123: 24007-24012. DOI: 10.1021/Acs.Jpcc.9B05738  0.409
2019 Ludwig T, Gauthier JA, Brown KS, Ringe S, Nørskov JK, Chan K. Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reductionon a Stepped Cu Surface Journal of Physical Chemistry C. 123: 5999-6009. DOI: 10.1021/Acs.Jpcc.8B11571  0.444
2019 Singh AR, Rohr BA, Gauthier JA, Nørskov JK. Predicting Chemical Reaction Barriers with a Machine Learning Model Catalysis Letters. 149: 2347-2354. DOI: 10.1007/S10562-019-02705-X  0.702
2019 Wijten JHJ, Riemersma RL, Gauthier J, Mandemaker LDB, Verhoeven MWGM(, Hofmann JP, Chan K, Weckhuysen BM. Cover Feature: Electrolyte Effects on the Stability of Ni−Mo Cathodes for the Hydrogen Evolution Reaction (ChemSusChem 15/2019) Chemsuschem. 12: 3407-3407. DOI: 10.1002/Cssc.201902008  0.396
2018 Chen LD, Bajdich M, Martirez JMP, Krauter CM, Gauthier JA, Carter EA, Luntz AC, Chan K, Nørskov JK. Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer. Nature Communications. 9: 3202. PMID 30097564 DOI: 10.1038/S41467-018-05511-Y  0.708
2018 Gauthier JA, Ringe S, Dickens CF, Garza AJ, Bell AT, Head-Gordon M, Nørskov JK, Chan K. Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models Acs Catalysis. 9: 920-931. DOI: 10.1021/Acscatal.8B02793  0.675
2017 Gauthier JA, Dickens CF, Chen LD, Doyle AD, Nørskov JK. Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110) The Journal of Physical Chemistry C. 121: 11455-11463. DOI: 10.1021/Acs.Jpcc.7B02383  0.702
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