Pascal Raybaud

Université Claude Bernard Lyon 1

France

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Articles (11)

Year:

2023

Year:

2023

Year:

2023

Opto-electronic properties and high frequency dielectric constant profiles of few layers van der Waals MoO 3− x S x /MoS 2− x O x heterostructures are simulated at DFT-HSE06 level for the purpose of photocatalytic applications.

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Year:

2022

Collaborators (2)

Elena Groppo

University of Turin

ITALY

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Tomáš Bučko

SLOVAKIA

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Pascal Raybaud

Research Interests

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Contact this professor

Articles (11)

Assessing Low-Cost Computational Methods against Structural Properties and Size Effects of Pt nanoparticles

Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics

PtOxCly(OH)z(H2O)n Complexes under Oxidative and Reductive Conditions: Impact of the Level of Theory on Thermodynamic Stabilities

Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO<sub>3</sub> and O-doped MoS<sub>2</sub> nanosheets: a first-principles study

Stability of Pt10Sn3 Clusters Supported on γ‐Al2O3 in Oxidizing Environment: a DFT Comparison of Alloying and Size Effects

Monomolecular mechanisms of isobutanol conversion to butenes catalyzed by acidic zeolites: Alcohol isomerization as a key to the production of linear butenes

Evidence for H2-Induced Ductility in a Pt/Al2O3 Catalyst

Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n-Heptane Hydroconversion in a Large-Pore Zeolite

Electronic structures of the MoS2/TiO2 (anatase) heterojunction: influence of physical and chemical modifications at the 2D- or 1D-interfaces

Evaluating acid and metallic site proximity in Pt/γ-Al2O3–Cl bifunctional catalysts through an atomic scale geometrical model

Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO3 and O-doped MoS2 nanosheets: a first-principles study

Collaborators (2)

Elena Groppo

Tomáš Bučko

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