Zobrazeno 1 - 10 of 164 pro vyhledávání: '"Pascal, Raybaud"'
1
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
Autor: Ana T. F. Batista, Thomas Pigeon, Jordan Meyet, Dorothea Wisser, Mickael Rivallan, David Gajan, Leonor Catita, Fabrice Diehl, Anne-Sophie Gay, Céline Chizallet, Anne Lesage, Pascal Raybaud
Publikováno v: ACS Catalysis
ACS Catalysis, 2023, 13 (10), pp.6536-6548. ⟨10.1021/acscatal.3c00495⟩
International audience; The atomic-scale characterization of surface active sites on γ-alumina still represents a great challenge for numerous catalytic applications. Here, we combine advanced density functional theory (DFT) calculations with one- a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ad41d51f468a61eacbdc4e61bcda5f3
https://doi.org/10.1021/acscatal.3c00495
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2
High-throughput experimentation based kinetic modeling of selective hydrodesulfurization of gasoline model molecules catalyzed by CoMoS/Al2O3
Autor: Ekaterina Galand, Fabien Caron, Etienne Girard, Antoine Daudin, Mickael Rivallan, Pascal Raybaud, Jean-Marc Schweitzer, Yves Schuurman
Publikováno v: Catalysis Science & Technology. 13:1777-1787
The selective hydrodesulfurization (HDS) of fluidized catalytic cracking gasoline still represents a challenging step to minimize hydrogen overconsumption and maintain high octane numbers.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::68053912d37ae887459f4177a4694929
https://doi.org/10.1039/d2cy02093a
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5
Genesis of MoS2 from model-Mo-oxide precursors supported on γ-alumina
Autor: Amit Sahu, Stephan N. Steinmann, Pascal Raybaud
Publikováno v: Journal of Catalysis
Journal of Catalysis, 2022, 408, pp.303-315. ⟨10.1016/j.jcat.2022.03.007⟩
International audience; The molecular-scale understanding of the genesis of the MoS2 phase from Mo-oxide precursors supported on alumina is highly challenging with a strong impact on the activation process of heterogeneous industrial catalysts. By me
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b312d75f72c77f7b78a9ab7227dfb23
https://doi.org/10.1016/j.jcat.2022.03.007
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7
Electronic structures of the MoS2/TiO2 (anatase) heterojunction: influence of physical and chemical modifications at the 2D- or 1D-interfaces
Autor: Rémi Favre, Pascal Raybaud, Tangui Le Bahers
Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2022, 24 (4), pp.2646-2655. ⟨10.1039/D1CP05151B⟩
International audience; To tackle the challenge of the CO2 photoreduction, semiconducting layered transition metal dichalcogenides like MoS2 have attracted much attention due to their tunable 2D nano-structures. By using advanced periodic density fun
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24b852b4cae6ada140e1cb6886a6e177
https://doi.org/10.1039/d1cp05151b
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8
Evaluating acid and metallic site proximity in Pt/γ-Al2O3–Cl bifunctional catalysts through an atomic scale geometrical model
Autor: Ana T. F. Batista, Céline Chizallet, Fabrice Diehl, Anne-Lise Taleb, Anne-Sophie Gay, Ovidiu Ersen, Pascal Raybaud
Publikováno v: Nanoscale
Nanoscale, 2022, 14 (24), pp.8753-8765. ⟨10.1039/d2nr00261b⟩
International audience; Quantifying the distances between metallic sites and acid sites is crucial for tuning the catalytic activity and selectivity of bifunctional catalysts involving sub-nanometric platinum (Pt) nano-particles (NP) highly dispersed
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff6c60a2579e7fde618d27e5c0606458
https://doi.org/10.1039/d2nr00261b
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9
Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO3 and O-doped MoS2 nanosheets: a first-principles study
Autor: Masoud Shahrokhi, Tangui Le Bahers, Pascal Raybaud
Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2022, 24 (41), pp.25440-25451. ⟨10.1039/d2cp03410g⟩
International audience; To gain insights into few layer (FL) van der Waals MoO 3Àx S x /MoS 2Àx O x heterostructures for photocatalytic applications, we analyze how the concentration (x) and location of anionic isovalent atom (S or O) substitutions
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b33b4a109808ed27c28c7900200c294
https://doi.org/10.1039/d2cp03410g
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10
Hydrogenolysis and β–elimination mechanisms for C S bond scission of dibenzothiophene on CoMoS edge sites
Autor: Alexandre S. Dumon, Amit Sahu, Pascal Raybaud
Publikováno v: Journal of Catalysis
Journal of Catalysis, 2021, 403, pp.32-42. ⟨10.1016/j.jcat.2021.01.030⟩
International audience; Unraveling the mechanisms of hydrodesulfurization (HDS) of dibenzothiophene (DBT) and the corresponding active sites represents a scientific challenge to improve the intrinsic performances of Co-promoted MoS2 (CoMoS) catalysts
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f623b8102cd56fd9e2a274698aaa583
https://doi.org/10.1016/j.jcat.2021.01.030
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