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Chemistry

D-Index
74
Citations
59497
World Ranking
4571
National Ranking
34

Overview

Thomas Bligaard is affiliated with the Technical University of Denmark in Denmark. Their research primarily focuses on materials science, contributing extensively to this field through numerous publications and collaborations.

Their work spans several subfields within materials science, including:

  • Materials Chemistry
  • Atomic and Molecular Physics, and Optics
  • Renewable Energy, Sustainability and the Environment
  • Electrical and Electronic Engineering
  • Condensed Matter Physics

Bligaard's research addresses multiple key topics, among which are:

  • Machine Learning in Materials Science
  • Advanced Chemical Physics Studies
  • Electrocatalysts for Energy Conversion
  • Catalytic Processes in Materials Science
  • CO2 Reduction Techniques and Catalysts
  • Physics of Superconductivity and Magnetism
  • Advanced Condensed Matter Physics

Recent publications demonstrate active contributions to the scientific community with a focus on materials modeling, catalysis, and energy-related applications. Notable papers include:

  • "GPAW: An open Python package for electronic structure calculations," 2024, The Journal of Chemical Physics
  • "Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction," 2020, Chemistry of Materials
  • "Autonomous intelligent agents for accelerated materials discovery," 2020, Chemical Science
  • "A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts," 2020, npj Computational Materials
  • "Enriching Surface-Accessible CO2 in the Zero-Gap Anion-Exchange-Membrane-Based CO2 Electrolyzer," 2022, Angewandte Chemie International Edition

Their frequent coauthors include:

  • Karsten W. Jacobsen
  • Kirsten T. Winther
  • Sami Kaappa
  • Georg Kastlunger
  • Marko Melander

Key publication venues where Bligaard has contributed multiple works are:

  • The Journal of Chemical Physics
  • npj Computational Materials
  • ACS Catalysis
  • Physical Review B
  • The Journal of Physical Chemistry C

Best Publications

  • Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

    J. K. Nørskov;J. Rossmeisl;and A. Logadottir;L. Lindqvist

  • Trends in the exchange current for hydrogen evolution

    Jens Kehlet Nørskov;Thomas Bligaard;Ashildur Logadottir;J.R. Kitchin

  • Towards the computational design of solid catalysts

    Jens Kehlet Nørskov;Thomas Bligaard;Jan Rossmeisl;Claus Hviid Christensen

  • Density functional theory in surface chemistry and catalysis.

    Jens Kehlet Nørskov;Jens Kehlet Nørskov;Jens Kehlet Nørskov;Frank Abild-Pedersen;Frank Abild-Pedersen;Felix Studt;Felix Studt;Thomas Bligaard

  • From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

    Andrew J. Medford;Aleksandra Vojvodic;Jens S. Hummelshøj;Johannes Voss

  • The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis

    T. Bligaard;J.K. Nørskov;S. Dahl;J. Matthiesen

  • Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces.

    F. Abild-Pedersen;J. Greeley;F. Studt;J. Rossmeisl

  • Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    Jess Wellendorff;Keld T. Lundgaard;Andreas Møgelhøj;Andreas Møgelhøj;Vivien Petzold

  • Universality in Heterogeneous Catalysis

    J.K. Nørskov;T. Bligaard;A. Logadottir;S. Bahn

  • A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction

    Egill Skulason;Egill Skulason;Thomas Bligaard;Thomas Bligaard;Thomas Bligaard;Sigrıdur Gudmundsdottir;Felix Studt

  • On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation

    N Lopez;T.V.W Janssens;B.S Clausen;Y Xu

  • Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

    Egill Skulason;Vladimir Tripkovic;Mårten Björketun;Sigridur Gudmundsdottir

  • Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene

    Felix Studt;Frank Abild-Pedersen;Thomas Bligaard;Rasmus Zink Sørensen

  • Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.

    Egill Skúlason;Egill Skúlason;Gustav S. Karlberg;Jan Rossmeisl;Thomas Bligaard;Thomas Bligaard

  • The nature of the active site in heterogeneous metal catalysis.

    Jens K. Nørskov;Thomas Bligaard;Britt Hvolbæk;Frank Abild-Pedersen

  • First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

    Glenn Jones;Jon Geest Jakobsen;Signe Sarah Shim;Jesper Kleis

  • Ligand effects in heterogeneous catalysis and electrochemistry

    T. Bligaard;J.K. Nørskov

  • To address surface reaction network complexity using scaling relations machine learning and DFT calculations

    Zachary W. Ulissi;Andrew J. Medford;Thomas Bligaard;Jens K. Nørskov

  • A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

    Jess Wellendorff;Trent L. Silbaugh;Delfina Garcia-Pintos;Jens K. Nørskov

  • Trends in the Catalytic CO Oxidation Activity of Nanoparticles

    Hanne Falsig;Britt Hvolbæk;Iben S. Kristensen;Tao Jiang

  • Trends in the Exchange Current for Hydrogen Evolution.

    J. K. Noerskov;T. Bligaard;A. Logadottir;J. R. Kitchin

  • From the Sabatier Principle to a Predictive Theory of Transition-Metal Heterogeneous Catalysis

    Andrew J. Medford;Aleksandra Vojvodic;Jens S. Hummelshoej;Johannes Voss

Frequent Co-Authors

Jens K. Nørskov
Jens K. Nørskov Technical University of Denmark
Frank Abild-Pedersen
Frank Abild-Pedersen SLAC National Accelerator Laboratory
Felix Studt
Felix Studt Karlsruhe Institute of Technology
Jan Rossmeisl
Jan Rossmeisl University of Copenhagen
Claus H. Christensen
Claus H. Christensen Aarhus University
Karsten Wedel Jacobsen
Karsten Wedel Jacobsen Technical University of Denmark
Tejs Vegge
Tejs Vegge Technical University of Denmark
Jens Sehested
Jens Sehested Haldor Topsoe (Denmark)
Aleksandra Vojvodic
Aleksandra Vojvodic University of Pennsylvania
Ib Chorkendorff
Ib Chorkendorff Technical University of Denmark

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