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Iowa State University

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Chemistry Publications

Scanning tunneling microscopy

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Full-Text Articles in Physics

Self-Organization Of S Adatoms On Au(111): √3r30° Rows At Low Coverage, Holly L. Walen, Da-Jiang Liu, Junepyo Oh, Hyunseob Lim, James W. Evans, Yousoo Kim, Patricia A. Thiel Jan 2015

Self-Organization Of S Adatoms On Au(111): √3r30° Rows At Low Coverage, Holly L. Walen, Da-Jiang Liu, Junepyo Oh, Hyunseob Lim, James W. Evans, Yousoo Kim, Patricia A. Thiel

Chemistry Publications

Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30◦ from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √ 3 times the surface lattice constant, a. Monte Carlo simulations are performed on ...


Search For The Structure Of A Sulfur-Induced Reconstruction On Cu(111), Da-Jiang Liu, Holly L. Walen, Junepyo Oh, James W. Evans, Yousoo Kim, Patricia A. Thiel Jan 2014

Search For The Structure Of A Sulfur-Induced Reconstruction On Cu(111), Da-Jiang Liu, Holly L. Walen, Junepyo Oh, James W. Evans, Yousoo Kim, Patricia A. Thiel

Chemistry Publications

We have carried out an extensive DFT-based search for the structure of the (√43 × √43)R ± 7.5° reconstruction of S on Cu(111), which exhibits a honeycombtype structure in scanning tunneling microscopy (STM). We apply two criteria in this search: The structure must have a reasonably low chemical potential, and it must provide a good match with STM data, both our own and the data published by Wahlström et al. Phys. Rev. B 1999, 60, 10699. The best model has 12 S adatoms and 9 Cu adatoms per unit cell. Local defects within the Cu9S12 framework, consisting of ...