Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)-Reference-Cited by-同舟云学术

Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)

Published:2014-02-26 Issue:10 Volume:118 Page:5374-5382
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Göltl Florian¹,Houriez Céline²,Guitou Marie²,Chambaud Gilberte²,Sautet Philippe¹

Affiliation:

1. Université de Lyon, CNRS, Ecole Normale Supérieure de Lyon, Laboratoire de Chimie, 46 Allée d’Italie, F-69364 Lyon Cedex 07, France

2. Université Paris-Est Marne-la-Vallée, Laboratoire Modélisation et Simulation Multi-Echelle MSME, UMR 8208 CNRS, 5 Boulevard Descartes, Champs-sur-Marne, F-77454 Marne-la-Vallée, France

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp4118634

Reference51 articles.

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3. Dissociation ofO2at Al(111): The Role of Spin Selection Rules

4. Reactive and Nonreactive Scattering of H 2 from a Metal Surface Is Electronically Adiabatic

5. Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods

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