| Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces M Digne, P Sautet, P Raybaud, P Euzen, H Toulhoat Journal of Catalysis 226 (1), 54-68, 2004 | 1164 | 2004 |
| Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors F Calle-Vallejo, J Tymoczko, V Colic, QH Vu, MD Pohl, K Morgenstern, ... Science 350 (6257), 185-189, 2015 | 906 | 2015 |
| Hydroxyl groups on γ-alumina surfaces: a DFT study M Digne, P Sautet, P Raybaud, P Euzen, H Toulhoat Journal of Catalysis 211 (1), 1-5, 2002 | 806 | 2002 |
| Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers F Calle-Vallejo, D Loffreda, MTM Koper, P Sautet Nature chemistry 7 (5), 403-410, 2015 | 754 | 2015 |
| Competitive C C and C O Adsorption of α-β-Unsaturated Aldehydes on Pt and Pd Surfaces in Relation with the Selectivity of Hydrogenation Reactions: A Theoretical Approach F Delbecq, P Sautet Journal of Catalysis 152 (2), 217-236, 1995 | 581 | 1995 |
| A fundamental look at electrocatalytic sulfur reduction reaction L Peng, Z Wei, C Wan, J Li, Z Chen, D Zhu, D Baumann, H Liu, CS Allen, ... Nature Catalysis 3 (9), 762-770, 2020 | 579 | 2020 |
| Single-atom tailoring of platinum nanocatalysts for high-performance multifunctional electrocatalysis M Li, K Duanmu, C Wan, T Cheng, L Zhang, S Dai, W Chen, Z Zhao, P Li, ... Nature Catalysis 2 (6), 495-503, 2019 | 558 | 2019 |
| Stability and Reactivity of ϵ−χ−θ Iron Carbide Catalyst Phases in Fischer−Tropsch Synthesis: Controlling μC E de Smit, F Cinquini, AM Beale, OV Safonova, W van Beek, P Sautet, ... Journal of the American Chemical Society 132 (42), 14928-14941, 2010 | 536 | 2010 |
| Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers F Calle‐Vallejo, JI Martínez, JM García‐Lastra, P Sautet, D Loffreda Angewandte Chemie International Edition 53 (32), 8316-8319, 2014 | 508 | 2014 |
| γ-Alumina: the essential and unexpected role of water for the structure, stability, and reactivity of “defect” sites R Wischert, P Laurent, C Copéret, F Delbecq, P Sautet Journal of the American Chemical Society 134 (35), 14430-14449, 2012 | 400 | 2012 |
| Structure and stability of aluminum hydroxides: a theoretical study M Digne, P Sautet, P Raybaud, H Toulhoat, E Artacho The Journal of Physical Chemistry B 106 (20), 5155-5162, 2002 | 352 | 2002 |
| Calculation of the benzene on rhodium STM images P Sautet, C Joachim Chemical Physics Letters 185 (1-2), 23-30, 1991 | 342 | 1991 |
| Significance of single-electron energies for the description of CO on Pt (111) G Kresse, A Gil, P Sautet Physical Review B 68 (7), 073401, 2003 | 323 | 2003 |
| Semiconductors used in photovoltaic and photocatalytic devices: assessing fundamental properties from DFT T Le Bahers, M Rerat, P Sautet The Journal of Physical Chemistry C 118 (12), 5997-6008, 2014 | 294 | 2014 |
| Images of adsorbates with the scanning tunneling microscope: Theoretical approaches to the contrast mechanism P Sautet Chemical Reviews 97 (4), 1097-1116, 1997 | 275 | 1997 |
| Understanding palladium hydrogenation catalysts: when the nature of the reactive molecule controls the nature of the catalyst active phase D Teschner, Z Révay, J Borsodi, M Hävecker, A Knop‐Gericke, R Schlögl, ... Angewandte Chemie 120 (48), 9414-9418, 2008 | 274 | 2008 |
| Molecular adsorption at Pt (111). How accurate are DFT functionals? S Gautier, SN Steinmann, C Michel, P Fleurat-Lessard, P Sautet Physical Chemistry Chemical Physics 17 (43), 28921-28930, 2015 | 273 | 2015 |
| How to control the selectivity of palladium‐based catalysts in hydrogenation reactions: the role of subsurface chemistry M Armbrüster, M Behrens, F Cinquini, K Föttinger, Y Grin, A Haghofer, ... ChemCatChem 4 (8), 1048-1063, 2012 | 262 | 2012 |
| Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale T Jahnke, G Futter, A Latz, T Malkow, G Papakonstantinou, G Tsotridis, ... Journal of Power Sources 304, 207-233, 2016 | 259 | 2016 |
| Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site Y Tang, C Asokan, M Xu, GW Graham, X Pan, P Christopher, J Li, ... Nature communications 10 (1), 4488, 2019 | 252 | 2019 |
