Identification of Au–S complexes on Au(100). Issue 6 (25th January 2016)

• Record Type: Journal Article
• Authors: Walen, Holly; Liu, Da-Jiang; Oh, Junepyo; Yang, Hyun Jin; Kim, Yousoo; Thiel, P. A.
• Is Part Of: Physical chemistry chemical physics. Volume 18:Issue 6(2016)
• Page Start: 4891
• Page End: 4901
• Publication Date: 2016-01-25
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c5cp07817b
• Languages: English
• ISSNs: 1463-9076

Abstract

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. 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 Au4 S5 . 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.