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authFullName_s : Manuel Corral Valero

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 of Physical Chemistry C, 2017, 121 (19), pp.10351 - 10363. ⟨10.1021/acs.jpcc.7b00101⟩
Journal articles hal-01760310v1

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
Applied Catalysis A : General, 2020, 590, pp.117332. ⟨10.1016/j.apcata.2019.117332⟩
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 of Physical Chemistry C, 2021, 125 (47), pp.26049-26060. ⟨10.1021/acs.jpcc.1c08629⟩
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 of Physical Chemistry C, 2018, 122 (34), pp.19560-19574. ⟨10.1021/acs.jpcc.8b05071⟩
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.
ACS Catalysis, 2021, 11 (17), pp.11278-11292. ⟨10.1021/acscatal.1c02135⟩
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 of Physical Chemistry C, 2021, 125 (20), pp.10909-10918. ⟨10.1021/acs.jpcc.0c11553⟩
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
Langmuir, 2019, 35 (40), pp.12986-12992. ⟨10.1021/acs.langmuir.9b02788⟩
Journal articles hal-02334469v1

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
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (4), pp.045427. ⟨10.1103/PhysRevB.75.045427⟩
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 of Catalysis, 2020, 391, pp.539-547. ⟨10.1016/j.jcat.2020.09.006⟩
Journal articles hal-03001978v1