| Theoretical studies of potential‐dependent and competing mechanisms of the electrocatalytic oxygen reduction reaction on Pt (111) JA Keith, T Jacob Angewandte Chemie International Edition 49 (49), 9521-9525, 2010 | 249 | 2010 |
| Theoretical investigations of the oxygen reduction reaction on Pt (111) JA Keith, G Jerkiewicz, T Jacob ChemPhysChem 11 (13), 2779-2794, 2010 | 248 | 2010 |
| Experimental and theoretical investigation of molybdenum carbide and nitride as catalysts for ammonia decomposition W Zheng, TP Cotter, P Kaghazchi, T Jacob, B Frank, K Schlichte, W Zhang, ... Journal of the American Chemical Society 135 (9), 3458-3464, 2013 | 239 | 2013 |
| Theoretical elucidation of the competitive electro-oxidation mechanisms of formic acid on Pt (111) W Gao, JA Keith, J Anton, T Jacob Journal of the American Chemical Society 132 (51), 18377-18385, 2010 | 229 | 2010 |
| Controlling Selectivity in the Chlorine Evolution Reaction over RuO2‐Based Catalysts KS Exner, J Anton, T Jacob, H Over Angewandte Chemie 126 (41), 11212-11215, 2014 | 216 | 2014 |
| Omicron: what makes the latest SARS-CoV-2 variant of concern so concerning? C Jung, D Kmiec, L Koepke, F Zech, T Jacob, KMJ Sparrer, F Kirchhoff Journal of virology 96 (6), e02077-21, 2022 | 173 | 2022 |
| Strong excitonic effects in the optical properties of graphitic carbon nitride -CN from first principles W Wei, T Jacob Physical Review B 87 (8), 085202, 2013 | 172 | 2013 |
| The Mechanism of Forming H2O from H2 and O2 over a Pt Catalyst via Direct Oxygen Reduction T Jacob Fuel cells 6 (3‐4), 159-181, 2006 | 156 | 2006 |
| Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes W Goddard III, B Merinov, A Van Duin, T Jacob, M Blanco, V Molinero, ... Molecular Simulation 32 (3-4), 251-268, 2006 | 153 | 2006 |
| Many-body effects in silicene, silicane, germanene and germanane W Wei, Y Dai, B Huang, T Jacob Physical Chemistry Chemical Physics 15 (22), 8789-8794, 2013 | 147 | 2013 |
| Plasma electrolytic oxidation (PEO) process—processing, properties, and applications S Sikdar, PV Menezes, R Maccione, T Jacob, PL Menezes Nanomaterials 11 (6), 1375, 2021 | 146 | 2021 |
| Visible‐Light‐Driven Water Oxidation by a Molecular Manganese Vanadium Oxide Cluster B Schwarz, J Forster, MKK Goetz, D Yücel, C Berger, T Jacob, C Streb Angewandte Chemie International Edition 55 (21), 6329-6333, 2016 | 145 | 2016 |
| Chemisorption of atomic oxygen on Pt (111) from DFT studies of Pt-clusters T Jacob, RP Muller, WA Goddard The Journal of Physical Chemistry B 107 (35), 9465-9476, 2003 | 143 | 2003 |
| Dissolved carbon controls the initial stages of nanocarbon growth A Rinaldi, JP Tessonnier, ME Schuster, R Blume, F Girgsdies, Q Zhang, ... Angewandte Chemie International Edition 50 (14), 3313-3317, 2011 | 142 | 2011 |
| Water formation on Pt and Pt‐based alloys: a theoretical description of a catalytic reaction T Jacob, WA Goddard III ChemPhysChem 7 (5), 992-1005, 2006 | 133 | 2006 |
| Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2(110) Model Electrode KS Exner, J Anton, T Jacob, H Over Angewandte Chemie International Edition 55 (26), 7501-7504, 2016 | 132 | 2016 |
| Surface chemistry of Ag particles: Identification of oxide species by aberration-corrected TEM and by DFT calculations DS Su, T Jacob, TW Hansen, D Wang, R Schlögl, B Freitag, S Kujawa Angewandte Chemie International Edition 47 (27), 5005-5008, 2008 | 126 | 2008 |
| Water‐soluble polymeric carbon nitride colloidal nanoparticles for highly selective quasi‐homogeneous photocatalysis I Krivtsov, D Mitoraj, C Adler, M Ilkaeva, M Sardo, L Mafra, C Neumann, ... Angewandte Chemie International Edition 59 (1), 487-495, 2020 | 123 | 2020 |
| Chlorine evolution reaction on RuO2 (110): Ab initio atomistic thermodynamics study-Pourbaix diagrams KS Exner, J Anton, T Jacob, H Over Electrochimica Acta 120, 460-466, 2014 | 111 | 2014 |
| Intrinsic electric field-induced properties in Janus MoSSe van der Waals structures F Li, W Wei, H Wang, B Huang, Y Dai, T Jacob The journal of physical chemistry letters 10 (3), 559-565, 2019 | 107 | 2019 |
