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An Atomistic Description of the γ-Alumina/Water Interface Revealed by Ab Initio Molecular Dynamics
Brice Firmin Ngouana-Wakou
,
P. Cornette
,
Manuel Corral Valero
,
D. Costa
,
Pascal Raybaud
Journal articles
hal-01760310v1
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Surface speciation of Co based Fischer-Tropsch catalyst under reaction conditions: Deactivation by coke or by oxidation?
Stefan Kocić
,
Manuel Corral Valero
,
Jean-Marc Schweitzer
,
Pascal Raybaud
Journal articles
hal-03110785v1
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Interplay of Solid–Liquid Interactions and Anisotropic Aggregation in Solution: The Case Study of γ-AlOOH Crystallites
Audrey Valette
,
Manuel Corral Valero
,
Grégory Lefèvre
,
Christophe Vallée
,
Mathieu Digne
,
et al.
Journal articles
hal-03561032v1
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Theoretical Insights into the Interaction of Oxygenated Organic Molecules and Cobalt(II) Precursor with γ-Al 2 O 3 Surfaces
Brice Firmin Ngouana Wakou
,
Manuel Corral Valero
,
Pascal Raybaud
Journal articles
hal-01940830v1
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Structural Characterization of Phosphate Species Adsorbed on γ-Alumina by Combining DNP Surface Enhanced NMR Spectroscopy and DFT Calculations
Adrian Hühn
,
Dorothea Wisser
,
Manuel Corral Valero
,
Teddy Roy
,
Mickaël Rivallan
,
et al.
Journal articles
hal-03374313v1
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Phosphate adsorption on γ-alumina: a surface complex model based on surface characterization and zeta potential measurements
Teddy Roy
,
Dorothea Wisser
,
Mickaël Rivallan
,
Manuel Corral Valero
,
Thibaut Corre
,
et al.
Journal articles
hal-03379556v1
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MUSIC Speciation of γ-Al 2 O 3 at the Solid Liquid Interface: How DFT Calculations Can Help with Amorphous and Poorly Crystalline Materials
Manuel Corral Valero
,
Bénédicte Prélot
,
Grégory Lefèvre
Journal articles
hal-02334469v1
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Nucleation of Pd n ( n = 1 – 5 ) clusters and wetting of Pd particles on γ − Al 2 O 3 surfaces: A density functional theory study
Manuel Corral Valero
,
Pascal Raybaud
,
Philippe Sautet
Journal articles
hal-01889759v1
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Computational chemistry approaches for the preparation of supported catalysts: progress and challenges
Manuel Corral Valero
,
Pascal Raybaud
Journal articles
hal-03001978v1
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