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Chemistry

D-Index
66
Citations
14645
World Ranking
7329
National Ranking
252

Overview

Pascal Raybaud is affiliated with the French Institute of Petroleum in France. Their research primarily focuses on materials science and chemistry, with a significant emphasis on catalysis and related processes. Over their career, they have contributed extensively to fields such as materials chemistry, catalysis, renewable energy, sustainability, atomic and molecular physics, optics, and inorganic chemistry.

The scientist's work covers various specialized subfields including:

  • Materials Chemistry
  • Catalysis
  • Renewable Energy, Sustainability and the Environment
  • Atomic and Molecular Physics, and Optics
  • Inorganic Chemistry

The main topics addressed in their research include:

  • Catalysis and Oxidation Reactions
  • Catalytic Processes in Materials Science
  • Zeolite Catalysis and Synthesis
  • Advanced Chemical Physics Studies
  • 2D Materials and Applications
  • MXene and MAX Phase Materials
  • Advanced NMR Techniques and Applications

Pascal Raybaud's frequent co-authors reflect collaborations that have shaped their research output. These co-authors include:

  • Céline Chizallet
  • Masoud Shahrokhi
  • Tomáš Bučko
  • Thomas Pigeon
  • Manuel Corral Valero

The scientist has published numerous articles in prominent scientific journals. Their frequent publication venues are:

  • ACS Catalysis
  • Journal of Catalysis
  • Angewandte Chemie International Edition
  • ChemCatChem
  • The Journal of Physical Chemistry C

Some of Pascal Raybaud's recent published papers include:

  • "On the understanding of the optoelectronic properties of S-doped MoO3 and O-doped MoS2 bulk systems: a DFT perspective", 2020, Journal of Materials Chemistry C
  • "2D MoO3-xSx/MoS2van der Waals Assembly: A Tunable Heterojunction with Attractive Properties for Photocatalysis", 2021, ACS Applied Materials & Interfaces
  • "Atomic Scale Insight into the Formation, Size, and Location of Platinum Nanoparticles Supported on γ-Alumina", 2020, ACS Catalysis
  • "Dynamic Features of Transition States for β-Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD Simulations", 2020, Angewandte Chemie International Edition
  • "Thermokinetic and Spectroscopic Mapping of Carbon Monoxide Adsorption on Highly Dispersed Pt/γ-Al2O3", 2021, ACS Catalysis

Best Publications

  • Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces

    M Digne;M Digne;P Sautet;P Raybaud;P Euzen

  • Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study

    M. Digne;M. Digne;M. Digne;P. Sautet;P. Sautet;P. Raybaud;P. Euzen

  • Theoretical Study of the Dehydration Process of Boehmite to γ-Alumina

    Xénophon Krokidis;Pascal Raybaud;Anne-Elisabeth Gobichon;Bernadette Rebours

  • Ab initio study of the H2-H2S/MoS2 gas-solid interface : The nature of the catalytically active sites

    P. Raybaud;J. Hafner;G. Kresse;S. Kasztelan

  • Shape and Edge Sites Modifications of MoS2 Catalytic Nanoparticles Induced by Working Conditions: A Theoretical Study

    Hannes Schweiger;Pascal Raybaud;Georg Kresse;Hervé Toulhoat

  • Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study

    P. Raybaud;J. Hafner;G. Kresse;S. Kasztelan

  • Challenges on molecular aspects of dealumination and desilication of zeolites

    Marius-Christian Silaghi;Céline Chizallet;Pascal Raybaud

  • Effects of morphology on surface hydroxyl concentration: a DFT comparison of anatase–TiO2 and γ-alumina catalytic supports

    C. Arrouvel;M. Digne;M. Breysse;H. Toulhoat

  • Structure and Stability of Aluminum Hydroxides: A Theoretical Study

    Mathieu Digne;Philippe Sautet;Pascal Raybaud;Hervé Toulhoat

  • Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study

    P Raybaud;M Digne;R Iftimie;W Wellens

  • Periodic trends in hydrodesulfurization: in support of the Sabatier principle

    R.R Chianelli;G Berhault;P Raybaud;S Kasztelan

  • Optimal promoter edge decoration of CoMoS catalysts: A combined theoretical and experimental study

    A.D. Gandubert;E. Krebs;C. Legens;D. Costa

  • Promoter Sensitive Shapes of Co(Ni)MoS Nanocatalysts in Sulfo-Reductive Conditions

    Hannes Schweiger;Pascal Raybaud;Hervé Toulhoat

  • Dealumination mechanisms of zeolites and extra-framework aluminum confinement

    Marius-Christian Silaghi;Céline Chizallet;Joachim Sauer;Pascal Raybaud

  • Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations

    Herve Toulhoat;Pascal Raybaud;Slavik Kasztelan;Georg Kresse

  • Ab initio density functional studies of transition-metal sulphides: I. Crystal structure and cohesive properties

    P Raybaud;P Raybaud;G Kresse;J Hafner;H Toulhoat

  • Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors

    Hervé Toulhoat;Pascal Raybaud

  • Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations

    Maxence Valla;Aaron J. Rossini;Maxime Caillot;Maxime Caillot;Céline Chizallet

  • H2‐Induced Reconstruction of Supported Pt Clusters: Metal–Support Interaction versus Surface Hydride

    Christophe Mager‐Maury;Christophe Mager‐Maury;Gaëtan Bonnard;Céline Chizallet;Philippe Sautet

  • Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions

    E. Krebs;B. Silvi;P. Raybaud

  • Ab initio density functional studies of transition-metal sulphides: II. Electronic structure

    P Raybaud;P Raybaud;J Hafner;G Kresse;H Toulhoat

Frequent Co-Authors

Hervé Toulhoat
Hervé Toulhoat French Institute of Petroleum
Céline Chizallet
Céline Chizallet French Institute of Petroleum
Philippe Sautet
Philippe Sautet University of California, Los Angeles
Georg Kresse
Georg Kresse University of Vienna
Jürgen Hafner
Jürgen Hafner University of Vienna
Dominique Costa
Dominique Costa Institut de Recherche de Chimie Paris
Christophe Geantet
Christophe Geantet Claude Bernard University Lyon 1
Ovidiu Ersen
Ovidiu Ersen University of Strasbourg
David Farrusseng
David Farrusseng Claude Bernard University Lyon 1

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