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Issue 6, 2016
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Identification of Au–S complexes on Au(100)

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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 × 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 × 2) sulfur islands, as Au atoms are released by the surface structure transformation.

Graphical abstract: Identification of Au–S complexes on Au(100)

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Article information

17 Dec 2015
14 Jan 2016
First published
25 Jan 2016

Phys. Chem. Chem. Phys., 2016,18, 4891-4901
Article type

Identification of Au–S complexes on Au(100)

H. Walen, D. Liu, J. Oh, H. J. Yang, Y. Kim and P. A. Thiel, Phys. Chem. Chem. Phys., 2016, 18, 4891
DOI: 10.1039/C5CP07817B

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