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Identification of Au-S complexes on Au(100)

TitleIdentification of Au-S complexes on Au(100)
Publication TypeJournal Article
Year of Publication2016
AuthorsWalen, H, Liu, DJ, Oh, J, Yang, HJ, Kimc, Y, Thiel, PA
JournalPhysical Chemistry Chemical Physics
Volume18
Pagination4891-4901
Date Published02
Type of ArticleArticle
ISBN Number1463-9076
Accession NumberWOS:000369509100074
Keywordsalkaline-solution, au(001) surface, gold, initio, metals, molecular-dynamics, reconstruction, scanning-tunneling-microscopy, self-assembled monolayers, stm, sulfur adsorption
Abstract

Using a combination of scanning tunneling microscopy and density functional theory (DFT) calculations, we have identified a set of related Au-S complexes that form on Au(100), when sulfur adsorbs and lifts the hexagonal surface reconstruction. The predominant complex is diamond-shaped with stoichiometry Au4S5. All of the complexes can be regarded as combinations of S-Au-S subunits. The complexes exist within, or at the edges of, p(2 x 2) sulfur islands that cover the unreconstructed Au regions, and are observed throughout the range of S coverage examined in this study, 0.009 to 0.12 monolayers. A qualitative model is developed which incorporates competitive formation of complexes, Au rafts, and p(2 x 2) sulfur islands, as Au atoms are released by the surface structure transformation.

DOI10.1039/c5cp07817b
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Chemical Physics

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