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
176 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
114 2013 Structural and electronic relaxations around substitutional E Gaudry, A Kiratisin, P Sainctavit, C Brouder, F Mauri, A Ramos, ...
Physical Review B 67 (9), 094108, 2003
89 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
79 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
63 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
63 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
63 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
51 2007 Structure investigation of the (100) surface of the orthorhombic 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
49 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
49 2005 Structure and dynamics of H Shin, A Schwarze, RD Diehl, K Pussi, A Colombier, É Gaudry, J Ledieu, ...
Physical Review B 89 (24), 245428, 2014
48 2014 Structure of the orthorhombic Alab 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 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
39 2014 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 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 Catalytic properties of Al13 TM4 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
31 2019 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
28 2020 