Size Dependence of S-bonding on (111) Facets of Cu Nanoclusters
نویسندگان
چکیده
منابع مشابه
Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters.
In order to gain insight into the nature of chemical bonding of sulfur atoms on coinage metal surfaces, we compare the adsorption energy and structural parameters for sulfur at four-fold hollow (4fh) sites on (100) facets and at three-fold hollow (3fh) sites on (111) facets of Cu nanoclusters. Consistent results are obtained from localized atomic orbital and plane-wave based density functional ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2016
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.6b00829