Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111)

Meyer, Jörg; Helstone, Darcey; Wijzenbroek, Mark; Kroes, Geert-Jan

doi:10.1063/1.4964486

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Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111)

Author(s): Mark Wijzenbroek ¹ , Darcey Helstone ¹ , Jörg Meyer ¹ , Geert-Jan Kroes ¹

Publication date Created: October 14 2016

Publication date (Print): October 14 2016

Journal: The Journal of Chemical Physics

Publisher: AIP Publishing

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt (1990)

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Journal

Title: The Journal of Chemical Physics

Abbreviated Title: The Journal of Chemical Physics

Publisher: AIP Publishing

ISSN (Print): 0021-9606

ISSN (Electronic): 1089-7690

Publication date Created: October 14 2016

Publication date (Print): October 14 2016

Volume: 145

Issue: 14

Page: 144701

Affiliations

[1 ]Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands

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DOI: 10.1063/1.4964486

PubMed ID: 27782530

SO-VID: db493716-3e08-49cc-ab46-130726cc2f36

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Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111)

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Most cited references 103

Generalized Gradient Approximation Made Simple

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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