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Hydrogen Deposition on Pt(111) during Electrochemical Hydrogen Evolution from a First-Principles Multiadsorption-Site Study

TitleHydrogen Deposition on Pt(111) during Electrochemical Hydrogen Evolution from a First-Principles Multiadsorption-Site Study
Publication TypeJournal Article
Year of Publication2013
AuthorsTan, TL, Wang, LL, Johnson, DD, Bai, KW
JournalJournal of Physical Chemistry C
Volume117
Pagination22696-22704
Date Published11
Type of ArticleArticle
ISBN Number1932-7447
Accession NumberWOS:000326845400028
Keywordsadsorption, alloys, basis-set, functional theory calculations, oxidation, phase-diagrams, platinum, single-crystal, surface, total-energy calculations, wave
Abstract

0, we predict that H-atop* takes over as the majority species ca. U = -0.4 V, where a simultaneous decrease in H-fcc* occurs-contradicting the general assumption that H-fcc*, remains the majority species, even at very negative potential. We identify the favorable HER operating potentials by mapping out the coverage of the kinetically active species H-atop*.

DOI10.1021/jp405760z
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Complex Hydrides