Thiolate adsorption on Au(hkl) and equilibrium shape of large thiolate-covered gold nanoparticles
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چکیده
منابع مشابه
Thiolate adsorption on Au(hkl) and equilibrium shape of large thiolate-covered gold nanoparticles.
The adsorption of thiolates on Au surfaces employing density-functional-theory calculations has been studied. The dissociative chemisorption of dimethyl disulfide (CH(3)S-SCH(3)) on 14 different Au(hkl) is used as a model system. We discuss trends on adsorption energies, bond lengths, and bond angles as the surface structure changes, considering every possible Au(hkl) with h, k, l ≤ 3 plus the ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2013
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4790368