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Chemistry

D-Index
72
Citations
15001
World Ranking
5391
National Ranking
1672

Overview

Roger Rousseau is affiliated with the Pacific Northwest National Laboratory in the United States. Their research primarily focuses on engineering and materials science, with a significant number of publications addressing materials chemistry, renewable energy, sustainability, mechanical engineering, biomedical engineering, and inorganic chemistry.

The scientist's work covers several main topics including catalytic processes in materials science, electrocatalysts for energy conversion, catalysis for biomass conversion, carbon dioxide capture technologies, machine learning applications in materials science, catalysis and oxidation reactions, and hydrodesulfurization studies.

Frequent coauthors collaborating with Roger Rousseau include Vassiliki-Alexandra Glezakou, Manh-Thuong Nguyen, Mal-Soon Lee, Difan Zhang, and Greg Collinge. Collaboration patterns suggest an interdisciplinary approach within catalytic and materials chemistry fields, emphasizing both theoretical and applied research.

Rousseau has published extensively in several key scientific venues known for their focus on chemistry, catalysis, and materials science. Frequent publication venues include:

  • ACS Catalysis
  • Journal of the American Chemical Society
  • Journal of Chemical Theory and Computation
  • ChemSusChem
  • Angewandte Chemie International Edition

Recent notable papers authored or coauthored by Roger Rousseau are:

  • Theoretical insights into the surface physics and chemistry of redox-active oxides, 2020, Nature Reviews Materials
  • Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review, 2020, Chemical Reviews
  • Confinement effects and acid strength in zeolites, 2021, Nature Communications
  • Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations, 2020, ACS Catalysis
  • Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy, 2021, Inorganic Chemistry

Best Publications

  • Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

    Yanggang Wang;Donghai Mei;Vassiliki Alexandra Glezakou;Jun Li

  • Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook

    David J. Heldebrant;Phillip K. Koech;Vassiliki Alexandra Glezakou;Roger Rousseau

  • Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review.

    Sneha A. Akhade;Sneha A. Akhade;Nirala Singh;Nirala Singh;Oliver Y. Gutierrez;Juan Lopez-Ruiz

  • X-ray Diffraction and Computation Yield the Structure of Alkanethiols on Gold(111)

    A. Cossaro;R. Mazzarello;R. Rousseau;L. Casalis

  • Thermally-driven processes on rutile TiO2(1 1 0)-(1 × 1): A direct view at the atomic scale

    Zdenek Dohnalek;Igor Lyubinetsky;Roger J. Rousseau

  • The role of reducible oxide-metal cluster charge transfer in catalytic processes: new insights on the catalytic mechanism of CO oxidation on Au/TiO2 from ab initio molecular dynamics.

    Yanggang Wang;Yeohoon Yoon;Vassiliki Alexandra Glezakou;Jun Li;Jun Li

  • Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements.

    Riccardo Mazzarello;Riccardo Mazzarello;Albano Cossaro;Alberto Verdini;R Rousseau

  • First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase

    Yeohoon Yoon;Roger J. Rousseau;Robert S. Weber;Donghai Mei

  • Distribution of Ti3+ Surface Sites in Reduced TiO2

    N. Aaron Deskins;Roger Rousseau;Michel Dupuis

  • Metal Work-Function Changes Induced by Organic Adsorbates: A Combined Experimental and Theoretical Study

    V. De Renzi;R. Rousseau;D. Marchetto;R. Biagi

  • Defining the Role of Excess Electrons in the Surface Chemistry of TiO2

    N. Aaron Deskins;Roger J. Rousseau;Michel Dupuis

  • Pulling monatomic gold wires with single molecules: an Ab initio simulation.

    Daniel Krüger;Harald Fuchs;Roger Rousseau;Dominik Marx

  • Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study

    Donghai Mei;Roger J. Rousseau;Shawn M. Kathmann;Vassiliki Alexandra Glezakou

  • Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)

    N. Aaron Deskins;Roger J. Rousseau;Michel Dupuis

  • CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways

    Yang Gang Wang;David C. Cantu;Mal Soon Lee;Jun Li

  • Genesis and Stability of Hydronium Ions in Zeolite Channels

    Meng Wang;Nicholas R. Jaegers;Nicholas R. Jaegers;Mal Soon Lee;Chuan Wan

  • Confinement effects and acid strength in zeolites

    Emanuele Grifoni;Giovanni Maria Piccini;Giovanni Maria Piccini;Giovanni Maria Piccini;Johannes A. Lercher;Vassiliki Alexandra Glezakou

  • Interaction of short-chain alkane thiols and thiolates with small gold clusters: Adsorption structures and energetics

    Daniel Krüger;Harald Fuchs;Roger Rousseau;Dominik Marx

  • Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane.

    Ramaswami Devanathan;Arun Venkatnathan;Roger J. Rousseau;Michel Dupuis

  • (100) facets of γ-Al2O3: The Active Surfaces for Alcohol Dehydration Reactions

    Ja Hun Kwak;Donghai Mei;Charles Hf Peden;Roger J. Rousseau

  • Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3 and (MoO3)3 clusters

    Roger J. Rousseau;David A. Dixon;Bruce D. Kay;Zdenek Dohnalek

Frequent Co-Authors

Vassiliki Alexandra Glezakou
Vassiliki Alexandra Glezakou Oak Ridge National Laboratory
Zdenek Dohnalek
Zdenek Dohnalek Pacific Northwest National Laboratory
Johannes A. Lercher
Johannes A. Lercher Technical University of Munich
Dominik Marx
Dominik Marx Ruhr University Bochum
R. Morris Bullock
R. Morris Bullock Pacific Northwest National Laboratory
Michel Dupuis
Michel Dupuis University at Buffalo, State University of New York
Bruce D. Kay
Bruce D. Kay Pacific Northwest National Laboratory
Sandro Scandolo
Sandro Scandolo International Centre for Theoretical Physics
Donghai Mei
Donghai Mei Tianjin Polytechnic University
Jun Li
Jun Li National University of Singapore

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