期刊
SURFACE SCIENCE
卷 605, 期 5-6, 页码 520-527出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2010.12.010
关键词
Sulphides; Surface relaxation and reconstruction; Density functional calculations
资金
- NSF [CHE-0809472]
- Division of Chemical Sciences, BES, US Department of Energy (USDOE)
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0809472] Funding Source: National Science Foundation
We have used scanning tunneling microscopy and density Functional theory to investigate the structures formed by sulfur on Ag(100). As indicated by previous low-energy electron diffraction studies, the main phases have unit cells of p(2 x 2) and (root 17 x root 17)R14 degrees. We show that the latter is a reconstruction. The favored structural model is one in which 5 Ag atoms are missing from the (100) surface plane per unit cell. The ejected Ag atoms combine with sulfur to form islands of the reconstructed phase on the terraces. The (root 17 x root 17)R14 degrees phase coexists with the p(2 x 2), at sulfur coverages slightly above 0.25 monolayers. In addition, chain-like structures are observed in SIM, both at room temperature (where they are dynamic) and below (where they are not). These results are compared with relevant literature for copper surfaces. (C) 2010 Elsevier B.V. All rights reserved.
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