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Chemistry

D-Index
57
Citations
12515
World Ranking
11021
National Ranking
412

Overview

Hervé Toulhoat is affiliated with the French Institute of Petroleum in France. Their research spans multiple disciplines, predominantly focusing on the fields of Physics and Astronomy as well as Materials Science. Within these domains, their work engages with subfields such as Astronomy and Astrophysics, Materials Chemistry, Catalysis, Renewable Energy, Sustainability and the Environment, and Mechanical Engineering.

The main topics of Hervé Toulhoat's research include Astro and Planetary Science, Electrocatalysts for Energy Conversion, Catalysis and Oxidation Reactions, Catalysis and Hydrodesulfurization Studies, Catalytic Processes in Materials Science, Stellar, Planetary, and Galactic Studies, and Machine Learning in Materials Science.

Key publication venues where Toulhoat's work has appeared are:

  • Journal of Catalysis
  • The Astrophysical Journal
  • Catalysis Science & Technology
  • Electronic Structure
  • The Journal of Physical Chemistry C

Frequent collaborators in their research include Viacheslav Zgonnik, Pascal Raybaud, V. Beaumont, N. V. Larin, and V. N. Larin.

Recent publications authored or coauthored by Hervé Toulhoat illustrate a focus on catalytic processes and planetary science, including:

  • Prediction of optimal catalysts for a given chemical reaction, 2020, Catalysis Science & Technology
  • A perspective on the catalytic hydrogenation of aromatics by Co(Ni)MoS phases, 2021, Journal of Catalysis
  • Chemical Differentiation of Planets: A Core Issue, 2022, The Astrophysical Journal
  • The optimal heterogeneous catalyst for an acid-base reaction, 2022, Journal of Catalysis

The diversity of research topics reflects interdisciplinary expertise, combining elements of astro and planetary sciences with advanced materials chemistry and catalysis research. This interdisciplinary approach is indicated by their involvement in studies addressing catalytic reactions at the molecular level as well as broader astrophysical phenomena.

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

  • A geometrical model of the active phase of hydrotreating catalysts

    S. Kasztelan;H. Toulhoat;J. Grimblot;J.P. Bonnelle

  • 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

  • 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

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

    Hannes Schweiger;Pascal Raybaud;Hervé Toulhoat

  • 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

  • Adsorption of Unsaturated Hydrocarbons on Pd(111) and Pt(111): A DFT Study

    Florian Mittendorfer;C. Thomazeau;P. Raybaud, ,† and;H. Toulhoat

  • Structural and Acidic Properties of Mordenite. An ab Initio Density-Functional Study

    T. Demuth;J. Hafner;and L. Benco;H. Toulhoat

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

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

  • Adsorption of Thiophene on the Catalytically Active Surface of MoS 2 : An Ab Initio Local-Density-Functional Study

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

  • Asphaltene Aggregation in Hydrocarbon Solutions Studied by Photon Correlation Spectroscopy

    M. A. Anisimov;I. K. Yudin;V. Nikitin;G. Nikolaenko

Frequent Co-Authors

Pascal Raybaud
Pascal Raybaud French Institute of Petroleum
Juergen Hafner
Juergen Hafner University of Vienna
Philippe Sautet
Philippe Sautet University of California, Los Angeles
Jürgen Hafner
Jürgen Hafner University of Vienna
Georg Kresse
Georg Kresse University of Vienna
Céline Chizallet
Céline Chizallet French Institute of Petroleum
Arnold Munnich
Arnold Munnich Necker-Enfants Malades Hospital
Dominique Costa
Dominique Costa Institut de Recherche de Chimie Paris
Emilio Artacho
Emilio Artacho University of Cambridge
Matthias Scheffler
Matthias Scheffler Fritz Haber Institute of the Max Planck Society

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