Article ID Journal Published Year Pages File Type
5361819 Applied Surface Science 2011 8 Pages PDF
Abstract
► The most favorable adsorption takes place between H2S and even-numbered Aun cluster. ► The small gold cluster would like to bond with sulfur. ► The Aun structures and H2S molecule still maintain their structural integrities. ► The reactivity enhancement of H2S and strong gold-sulfur bond are observed. ► The scalar relativistic effect is favorable to the adsorption.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A density functional theory study on the H2S molecule adsorption onto small gold clusters
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