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
242 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
230 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
221 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
175 2022 Strong excitonic effects in the optical properties of graphitic carbon nitride -C N from first principles W Wei, T Jacob
Physical Review B 87 (8), 085202, 2013
172 2013 The Mechanism of Forming H2 O 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 Plasma electrolytic oxidation (PEO) process—processing, properties, and applications S Sikdar, PV Menezes, R Maccione, T Jacob, PL Menezes
Nanomaterials 11 (6), 1375, 2021
152 2021 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
148 2013 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 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
135 2016 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 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
108 2019