| Unified mechanistic understanding of CO2 reduction to CO on transition metal and single atom catalysts S Vijay, W Ju, S Brückner, SC Tsang, P Strasser, K Chan Nature Catalysis 4 (12), 1024-1031, 2021 | 263 | 2021 |
| Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces H Li, S Kelly, D Guevarra, Z Wang, Y Wang, JA Haber, M Anand, ... Nature Catalysis 4 (6), 463-468, 2021 | 237 | 2021 |
| Catalytic polysulfide conversion and physiochemical confinement for lithium–sulfur batteries Z Sun, S Vijay, HH Heenen, AYS Eng, W Tu, Y Zhao, SW Koh, P Gao, ... Advanced Energy Materials 10 (22), 1904010, 2020 | 208 | 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 | 127 | 2020 |
| Understanding the complementarities of surface-enhanced infrared and Raman spectroscopies in CO adsorption and electrochemical reduction X Chang, S Vijay, Y Zhao, NJ Oliveira, K Chan, B Xu Nature Communications 13 (1), 2656, 2022 | 125 | 2022 |
| 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 | 121 | 2019 |
| Theories for Electrolyte Effects in CO2 Electroreduction A Xu, N Govindarajan, G Kastlunger, S Vijay, K Chan Accounts of Chemical Research 55 (4), 495-503, 2022 | 93 | 2022 |
| Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO2 Reduction N Karmodak, S Vijay, G Kastlunger, K Chan ACS catalysis 12 (9), 4818-4824, 2022 | 71 | 2022 |
| Covalent Organic Framework (COF) Derived Ni‐N‐C Catalysts for Electrochemical CO2 Reduction: Unraveling Fundamental Kinetic and Structural Parameters of … C Li, W Ju, S Vijay, J Timoshenko, K Mou, DA Cullen, J Yang, X Wang, ... Angewandte Chemie 134 (15), e202114707, 2022 | 65 | 2022 |
| How to verify the precision of density-functional-theory implementations via reproducible and universal workflows E Bosoni, L Beal, M Bercx, P Blaha, S Blügel, J Bröder, M Callsen, ... Nature Reviews Physics 6 (1), 45-58, 2024 | 34 | 2024 |
| Generalizable trends in electrochemical protonation barriers AM Patel, S Vijay, G Kastlunger, JK Nørskov, K Chan The Journal of Physical Chemistry Letters 12 (21), 5193-5200, 2021 | 29 | 2021 |
| Limits to scaling relations between adsorption energies? S Vijay, G Kastlunger, K Chan, JK Nørskov The Journal of Chemical Physics 156 (23), 2022 | 21 | 2022 |
| Free-atom-like d states beyond the dilute limit of single-atom alloys AS Rosen, S Vijay, KA Persson Chemical Science 14 (6), 1503-1511, 2023 | 20 | 2023 |
| Surface characteristics investigation of HVAF sprayed cermet coatings S Vijay, L Wang, C Lyphout, P Nylen, N Markocsan Applied Surface Science 493, 956-962, 2019 | 19 | 2019 |
| On the Thermodynamic Equivalence of Grand Canonical, Infinite‐Size, and Capacitor‐Based Models in First‐Principle Electrochemistry G Kastlunger, S Vijay, X Chen, S Sharma, A Peterson ChemPhysChem 25 (10), e202300950, 2024 | 10 | 2024 |
| Interaction of CO with Gold in an Electrochemical Environment S Vijay, TV Hogg, J Ehlers, HH Kristoffersen, Y Katayama, Y Shao Horn, ... The Journal of Physical Chemistry C 125 (32), 17684-17689, 2021 | 10 | 2021 |
| A database of molecular properties integrated in the Materials Project EWC Spotte-Smith, OA Cohen, SM Blau, JM Munro, R Yang, RD Guha, ... Digital Discovery 2 (6), 1862-1882, 2023 | 9 | 2023 |
| Force-based method to determine the potential dependence in electrochemical barriers S Vijay, G Kastlunger, JA Gauthier, A Patel, K Chan The Journal of Physical Chemistry Letters 13 (25), 5719–5725, 2022 | 7 | 2022 |
| How to extract adsorption energies, adsorbate–adsorbate interaction parameters and saturation coverages from temperature programmed desorption experiments S Vijay, HH Kristoffersen, Y Katayama, Y Shao-Horn, I Chorkendorff, ... Physical Chemistry Chemical Physics 23 (42), 24396-24402, 2021 | 6 | 2021 |
| A critical analysis of chemical and electrochemical oxidation mechanisms in Li-ion batteries EWC Spotte-Smith, S Vijay, TB Petrocelli, BLD Rinkel, BD McCloskey, ... The Journal of Physical Chemistry Letters 15 (2), 391-400, 2024 | 5 | 2024 |
Georg KastlungerTechnical University of Denmark確認したメール アドレス: dtu.dk