Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Georg Kresse, Theodoros Tsatsoulis, Andreas Grueneis, Angelos Michaelides (Corresponding author), Dario Alfe (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Pages (from-to)358-368
Number of pages11
JournalThe Journal of Physical Chemistry Letters
Volume10
Issue number3
DOIs
Publication statusPublished - 7 Feb 2019

Austrian Fields of Science 2012

  • 103006 Chemical physics
  • 103018 Materials physics

Keywords

  • QUANTUM MONTE-CARLO
  • HARTREE-FOCK PSEUDOPOTENTIALS
  • ADAPTED PERTURBATION-THEORY
  • DENSITY-FUNCTIONAL THEORY
  • TOTAL-ENERGY CALCULATIONS
  • CARBON
  • SIMULATIONS
  • GRAPHITE
  • ADSORPTION
  • TRANSPORT

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