Articles amb requisits d'accés públic - Pascal RaybaudMés informació
No estan disponibles en cap lloc: 3
Adsorption of NO on Pd-exchanged mordenite: Ab initio DFT modeling
R Grybos, J Hafner, L Benco, P Raybaud
The Journal of Physical Chemistry C 112 (32), 12349-12362, 2008
Requisits: Austrian Science Fund
Combined Experimental and Theoretical Molecular Approach of the Catalytically Active Hydrotreating MoS2 Phases Promoted by 3d Transition Metals
R Arancon, M Saab, A Morvan, A Bonduelle-Skrzypczak, AL Taleb, ...
The Journal of Physical Chemistry C 123 (40), 24659-24669, 2019
Requisits: Swiss National Science Foundation
The speciation of phosphates adsorbed on γ-alumina revealed by 31 P NMR, AIMD and machine learning
A Hühn, T Jiang, MC Valero, M Rivallan, A Lesage, C Michel, P Raybaud
Catalysis Science & Technology 15 (3), 878-884, 2025
Requisits: Agence Nationale de la Recherche
Disponibles en algun lloc: 25
Dealumination mechanisms of zeolites and extra-framework aluminum confinement
MC Silaghi, C Chizallet, J Sauer, P Raybaud
Journal of Catalysis 339, 242-255, 2016
Requisits: German Research Foundation
Atomic description of the interface between silica and alumina in aluminosilicates through dynamic nuclear polarization surface-enhanced NMR spectroscopy and first-principles …
M Valla, AJ Rossini, M Caillot, C Chizallet, P Raybaud, M Digne, ...
Journal of the American Chemical Society 137 (33), 10710-10719, 2015
Requisits: Swiss National Science Foundation, European Commission
Regioselectivity of Al–O bond hydrolysis during zeolites dealumination unified by brønsted–evans–polanyi relationship
MC Silaghi, C Chizallet, E Petracovschi, T Kerber, J Sauer, P Raybaud
ACS Catalysis 5 (1), 11-15, 2015
Requisits: German Research Foundation
On the understanding of the optoelectronic properties of S-doped MoO3 and O-doped MoS2 bulk systems: a DFT perspective
M Shahrokhi, P Raybaud, T Le Bahers
Journal of Materials Chemistry C 8 (26), 9064-9074, 2020
Requisits: Agence Nationale de la Recherche
2D MoO3–xSx/MoS2 van der Waals Assembly: A Tunable Heterojunction with Attractive Properties for Photocatalysis
M Shahrokhi, P Raybaud, T Le Bahers
ACS applied materials & interfaces 13 (30), 36465-36474, 2021
Requisits: Agence Nationale de la Recherche
Atomic scale insight into the formation, size, and location of platinum nanoparticles supported on γ-alumina
ATF Batista, W Baaziz, AL Taleb, J Chaniot, M Moreaud, C Legens, ...
ACS Catalysis 10 (7), 4193-4204, 2020
Requisits: Agence Nationale de la Recherche
Revisiting γ-alumina surface models through the topotactic transformation of boehmite surfaces
T Pigeon, C Chizallet, P Raybaud
Journal of Catalysis 405, 140-151, 2022
Requisits: Agence Nationale de la Recherche
Computational chemistry approaches for the preparation of supported catalysts: progress and challenges
MC Valero, P Raybaud
Journal of Catalysis 391, 539-547, 2020
Requisits: Agence Nationale de la Recherche
Size-Dependent Structural, Energetic, and Spectroscopic Properties of MoS3 Polymorphs
A Sahu, SN Steinmann, P Raybaud
Crystal Growth & Design 20 (12), 7750-7760, 2020
Requisits: Agence Nationale de la Recherche
Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO 3 and O-doped MoS 2 nanosheets: a first-principles study
M Shahrokhi, T Le Bahers, P Raybaud
Physical Chemistry Chemical Physics 24 (41), 25440-25451, 2022
Requisits: Agence Nationale de la Recherche
Interplay of the adsorption of light and heavy paraffins in hydroisomerization over H-beta zeolite
PSF Mendes, C Chizallet, J Perez-Pellitero, P Raybaud, JM Silva, ...
Catalysis Science & Technology 9 (19), 5368-5382, 2019
Requisits: Fundação para a Ciência e a Tecnologia, Portugal
Structure, location, and spatial proximities of hydroxyls on γ-alumina crystallites by high-resolution solid-state NMR and DFT modeling: why edges hold the key
ATF Batista, T Pigeon, J Meyet, D Wisser, M Rivallan, D Gajan, L Catita, ...
ACS Catalysis 13 (10), 6536-6548, 2023
Requisits: Agence Nationale de la Recherche
Genesis of MoS2 from model-Mo-oxide precursors supported on γ-alumina
A Sahu, SN Steinmann, P Raybaud
Journal of Catalysis 408, 303-315, 2022
Requisits: Agence Nationale de la Recherche
Electronic structures of the MoS 2/TiO 2 (anatase) heterojunction: influence of physical and chemical modifications at the 2D-or 1D-interfaces
R Favre, P Raybaud, T Le Bahers
Physical Chemistry Chemical Physics 24 (4), 2646-2655, 2022
Requisits: Agence Nationale de la Recherche
Electrochemical Potential-Dependent Stability and Activity of MoS3 during the Hydrogen Evolution Reaction
N Abidi, A Sahu, P Raybaud, SN Steinmann
ACS Catalysis 13 (23), 15290-15300, 2023
Requisits: Agence Nationale de la Recherche
Structural Characterization of Phosphate Species Adsorbed on γ-Alumina by Combining DNP Surface Enhanced NMR Spectroscopy and DFT Calculations
A Huhn, D Wisser, M Corral Valero, T Roy, M Rivallan, L Catita, A Lesage, ...
ACS Catalysis 11 (17), 11278-11292, 2021
Requisits: Agence Nationale de la Recherche
Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics
T Pigeon, G Stoltz, M Corral-Valero, A Anciaux-Sedrakian, M Moreaud, ...
Journal of Chemical Theory and Computation 19 (12), 3538-3550, 2023
Requisits: European Commission
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