First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge D Cabaret, A Bordage, A Juhin, M Arfaoui, E Gaudry Physical Chemistry Chemical Physics 12 (21), 5619-5633, 2010 | 186 | 2010 |
The intermetallic compound ZnPd and its role in methanol steam reforming M Armbrüster, M Behrens, K Föttinger, M Friedrich, É Gaudry, SK Matam, ... Catalysis Reviews 55 (3), 289-367, 2013 | 125 | 2013 |
Structural and electronic relaxations around substitutional and ions in corundum E Gaudry, A Kiratisin, P Sainctavit, C Brouder, F Mauri, A Ramos, ... Physical Review B 67 (9), 094108, 2003 | 90 | 2003 |
From the green color of eskolaite to the red color of ruby: an X-ray absorption spectroscopy study E Gaudry, P Sainctavit, F Juillot, F Bondioli, P Ohresser, I Letard Physics and Chemistry of Minerals 32, 710-720, 2006 | 80 | 2006 |
Structural relaxations around Ti, Cr and Fe impurities in α-Al2O3 probed by X-ray absorption near-edge structure combined with first-principles calculations E Gaudry, D Cabaret, P Sainctavit, C Brouder, F Mauri, J Goulon, ... Journal of Physics: Condensed Matter 17 (36), 5467, 2005 | 62 | 2005 |
Structural relaxations around Ti, Cr and Fe impurities in α-Al2O3 probed by X-ray absorption near-edge structure combined with first-principles calculations E Gaudry, D Cabaret, P Sainctavit, C Brouder, F Mauri, J Goulon, ... Journal of Physics: Condensed Matter 17 (36), 5467, 2005 | 62 | 2005 |
Structural relaxations around Ti, Cr and Fe impurities in α-Al2O3 probed by X-ray absorption near-edge structure combined with first-principles calculations E Gaudry, D Cabaret, P Sainctavit, C Brouder, F Mauri, J Goulon, ... Journal of Physics: Condensed Matter 17 (36), 5467, 2005 | 62 | 2005 |
Relaxations around the substitutional chromium site in emerald: X-ray absorption experiments and density functional calculations E Gaudry, D Cabaret, C Brouder, I Letard, A Rogalev, F Wilhlem, ... Physical Review B 76 (9), 094110, 2007 | 55 | 2007 |
Structure and dynamics of molecules on Au(111) H Shin, A Schwarze, RD Diehl, K Pussi, A Colombier, É Gaudry, J Ledieu, ... Physical Review B 89 (24), 245428, 2014 | 50 | 2014 |
Structure investigation of the (100) surface of the orthorhombic crystal R Addou, E Gaudry, T Deniozou, M Heggen, M Feuerbacher, P Gille, ... Physical Review B 80 (1), 014203, 2009 | 50 | 2009 |
XANES calculation with an efficient “non muffin-tin” method: application to the angular dependence of the Al K-edge in corundum D Cabaret, E Gaudry, M Taillefumier, P Sainctavit, F Mauri Physica scripta 2005 (T115), 131, 2005 | 48 | 2005 |
XANES calculation with an efficient “non muffin-tin” method: application to the angular dependence of the Al K-edge in corundum D Cabaret, E Gaudry, M Taillefumier, P Sainctavit, F Mauri Physica scripta 2005 (T115), 131, 2005 | 48 | 2005 |
Structure of the orthorhombic AlCo(100) surface using LEED, STM, and ab initio studies H Shin, K Pussi, E Gaudry, J Ledieu, V Fournée, SA Villaseca, JM Dubois, ... Physical Review B 84 (8), 085411, 2011 | 47 | 2011 |
Structural Investigation of the (010) Surface of the Catalyst J Ledieu, É Gaudry, LNS Loli, SA Villaseca, MC De Weerd, M Hahne, ... Physical review letters 110 (7), 076102, 2013 | 46 | 2013 |
Self-organized molecular films with long-range quasiperiodic order V Fournée, É Gaudry, J Ledieu, MC De Weerd, D Wu, T Lograsso ACS nano 8 (4), 3646-3653, 2014 | 41 | 2014 |
Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO2 Hydrogenation to Methanol F Brix, V Desbuis, L Piccolo, É Gaudry The Journal of Physical Chemistry Letters 11 (18), 7672-7678, 2020 | 39 | 2020 |
Surface diffusion of Cr adatoms on Au (111) by quantum tunneling P Ohresser, H Bulou, SS Dhesi, C Boeglin, B Lazarovits, E Gaudry, ... Physical review letters 95 (19), 195901, 2005 | 35 | 2005 |
Surfaces of Al-based complex metallic alloys: atomic structure, thin film growth and reactivity J Ledieu, É Gaudry, V Fournée Science and technology of advanced materials 15 (3), 034802, 2014 | 34 | 2014 |
Catalytic properties of Al13TM4 complex intermetallics: influence of the transition metal and the surface orientation on butadiene hydrogenation L Piccolo, C Chatelier, MC De Weerd, F Morfin, J Ledieu, V Fournée, ... Science and Technology of Advanced Materials 20 (1), 557-567, 2019 | 32 | 2019 |
Structural investigation of the (110) surface of E Gaudry, AK Shukla, T Duguet, J Ledieu, MC DeWeerd, JM Dubois, ... Physical Review B 82 (8), 085411, 2010 | 32 | 2010 |