A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface

Other literature type, Article English OPEN
Roldan, Alberto; de Leeuw, Nora H.;
(2017)
  • Publisher: Royal Society of Chemistry
  • Identifiers: doi: 10.1039/C6CP07371A
  • Subject: QD
    arxiv: Physics::Chemical Physics

The interaction of water with catalyst surfaces is a common process which requires investigation. Here, we have employed density functional theory calculations to investigate the adsorption of up to ten water molecules on the {001} surface of greigite (Fe ... View more
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