کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5425934 1395870 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The bonding geometry of alkylsilanes on gold: Relation to surface pattern development and STM image contrast
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
The bonding geometry of alkylsilanes on gold: Relation to surface pattern development and STM image contrast
چکیده انگلیسی

The adsorption of methylsilane (MeSiH3) on Au(1 1 1) was investigated using density functional theory (DFT) within a generalized gradient approximation (GGA). Two preferred chemisorption sites are identified: the hollow site and an atop site with an ejected gold substrate atom. Both of these configurations result in a tetracoordinate Si with a distorted tetrahedral geometry. The energy of adsorption is calculated allowing an analysis of the preferred binding geometry as a function of coverage. The relation of the supermolecular length scale pattern that emerges from a spinodal decomposition of the two phases arising from the two binding geometries is discussed. The pattern observed in the STM images is shown to be consistent with the local density of states calculated for the two different binding geometries.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 601, Issue 9, 1 May 2007, Pages 1937-1943
نویسندگان
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