| 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 | 1026 | 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 | 747 | 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 | 731 | 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 | 609 | 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 | 561 | 1995 |
| 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 | 443 | 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 | 416 | 2014 |
| 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 | 389 | 2019 |
| 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 | 344 | 2020 |
| Calculation of the benzene on rhodium STM images P Sautet, C Joachim Chemical Physics Letters 185 (1-2), 23-30, 1991 | 335 | 1991 |
| 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 | 324 | 2002 |
| 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 | 319 | 2012 |
| 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 | 307 | 2003 |
| Images of adsorbates with the scanning tunneling microscope: theoretical approaches to the contrast mechanism P Sautet Chemical Reviews 97 (4), 1097-1116, 1997 | 266 | 1997 |
| 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 | 240 | 2014 |
| 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 | 239 | 2008 |
| Electronic interference produced by a benzene embedded in a polyacetylene chain P Sautet, C Joachim Chemical Physics Letters 153 (6), 511-516, 1988 | 234 | 1988 |
| Hydrogen adsorption on palladium: a comparative theoretical study of different surfaces W Dong, V Ledentu, P Sautet, A Eichler, J Hafner Surface science 411 (1-2), 123-136, 1998 | 233 | 1998 |
| Electronic transmission coefficient for the single-impurity problem in the scattering-matrix approach P Sautet, C Joachim Physical Review B 38 (17), 12238, 1988 | 232 | 1988 |
| Efficient method for the simulation of STM images. I. Generalized Green-function formalism J Cerdá, MA Van Hove, P Sautet, M Salmeron Physical Review B 56 (24), 15885, 1997 | 228 | 1997 |
