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Aayush R. Singh - Publications

Affiliations: 
The Dow Chemical Company 
Area:
Computational catalysis
Website:
https://scholar.google.com/citations?user=Urmnui8AAAAJ&hl=en
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18 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
2021 Lee EMY, Ludwig T, Yu B, Singh AR, Gygi F, Nørskov JK, de Pablo JJ. Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium. The Journal of Physical Chemistry Letters. 2954-2962. PMID 33729797 DOI: 10.1021/acs.jpclett.1c00195  0.491
2020 Ludwig T, Singh AR, Nørskov JK. Acetonitrile Transition Metal Interfaces from First Principles. The Journal of Physical Chemistry Letters. 9802-9811. PMID 33151694 DOI: 10.1021/acs.jpclett.0c02692  0.467
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  0.691
2020 McEnaney JM, Rohr BA, Nielander AC, Singh AR, King LA, Nørskov JK, Jaramillo TF. A cyclic electrochemical strategy to produce acetylene from CO2, CH4, or alternative carbon sources Sustainable Energy & Fuels. 4: 2752-2759. DOI: 10.1039/C9Se00799G  0.441
2020 Schwalbe JA, Statt MJ, Chosy C, Singh AR, Rohr BA, Nielander AC, Andersen SZ, McEnaney JM, Baker JG, Jaramillo TF, Norskov JK, Cargnello M. A Combined Theory‐Experiment Analysis of the Surface Species in Lithium‐Mediated NH 3 Electrosynthesis Chemelectrochem. 7: 1542-1549. DOI: 10.1002/celc.201902124  0.381
2019 Andersen SZ, Čolić V, Yang S, Schwalbe JA, Nielander AC, McEnaney JM, Enemark-Rasmussen K, Baker JG, Singh AR, Rohr BA, Statt MJ, Blair SJ, Mezzavilla S, Kibsgaard J, Vesborg PCK, et al. Author Correction: A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements. Nature. PMID 31554972 DOI: 10.1038/S41586-019-1625-1  0.415
2019 Andersen SZ, Čolić V, Yang S, Schwalbe JA, Nielander AC, McEnaney JM, Enemark-Rasmussen K, Baker JG, Singh AR, Rohr BA, Statt MJ, Blair SJ, Mezzavilla S, Kibsgaard J, Vesborg PCK, et al. A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements. Nature. PMID 31117118 DOI: 10.1038/S41586-019-1260-X  0.505
2019 Singh AR, Rohr BA, Statt MJ, Schwalbe JA, Cargnello M, Nørskov JK. Strategies toward Selective Electrochemical Ammonia Synthesis Acs Catalysis. 9: 8316-8324. DOI: 10.1021/Acscatal.9B02245  0.508
2019 Lamoureux PS, Singh AR, Chan K. PH Effects on Hydrogen Evolution and Oxidation over Pt(111): Insights from First-Principles Acs Catalysis. 9: 6194-6201. DOI: 10.1021/Acscatal.9B00268  0.397
2019 Rohr BA, Singh AR, Nørskov JK. A theoretical explanation of the effect of oxygen poisoning on industrial Haber-Bosch catalysts Journal of Catalysis. 372: 33-38. DOI: 10.1016/J.Jcat.2019.01.042  0.492
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
2018 Zhang L, Mallikarjun Sharada S, Singh AR, Rohr BA, Su Y, Qiao L, Nørskov JK. A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. Physical Chemistry Chemical Physics : Pccp. PMID 29387843 DOI: 10.1039/C7Cp05484J  0.545
2018 Singh AR, Montoya JH, Rohr BA, Tsai C, Vojvodic A, Nørskov JK. Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis Acs Catalysis. 8: 4017-4024. DOI: 10.1021/Acscatal.8B00106  0.579
2017 McEnaney JM, Singh AR, Schwalbe JA, Kibsgaard J, Lin JC, Cargnello M, Jaramillo TF, Nørskov JK. Ammonia synthesis from N2and H2O using a lithium cycling electrification strategy at atmospheric pressure Energy & Environmental Science. 10: 1621-1630. DOI: 10.1039/C7Ee01126A  0.412
2016 Ulissi ZW, Singh AR, Tsai C, Norskov JK. Automated Discovery and Construction of Surface Phase Diagrams using Machine Learning. The Journal of Physical Chemistry Letters. PMID 27558978 DOI: 10.1021/Acs.Jpclett.6B01254  0.682
2016 Tran NL, Singh AR, Cuk T. Highly reversible transition metal deposition and oxidation on symmetric RuO2 electrodes for battery applications Journal of the Electrochemical Society. 163: A286-A289. DOI: 10.1149/2.0621602Jes  0.33
2016 Singh AR, Rohr BA, Schwalbe JA, Cargnello M, Chan K, Jaramillo TF, Chorkendorff I, Nørskov JK. Electrochemical Ammonia Synthesis—The Selectivity Challenge Acs Catalysis. 7: 706-709. DOI: 10.1021/Acscatal.6B03035  0.423
2016 Tsai C, Lee K, Yoo JS, Liu X, Aljama H, Chen LD, Dickens CF, Geisler TS, Guido CJ, Joseph TM, Kirk CS, Latimer AA, Loong B, McCarty RJ, Montoya JH, ... ... Singh AR, et al. Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening Catalysis Letters. 1-7. DOI: 10.1007/S10562-016-1708-7  0.517
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