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Adsorption of Na and Hg on the Ice(Ih) Surface: A Density-Functional Study

✍ Scribed by Asaduzzaman, Abu Md.; Schreckenbach, Georg

Book ID
121867284
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
643 KB
Volume
114
Category
Article
ISSN
1932-7447

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## Abstract NO molecule adsorption on (010) surface of gold selenide (AuSe) has been studied with a periodic slab model by means of the GGA‐PW91 exchange‐correlation functional within the framework of density functional theory (DFT). Four different on‐top adsorption sites Au(1), Au(2), Se(1) and Se