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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
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

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.

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