Theory Study of the Adsorption ofHydrocyanic Acid onto Small Silver Clusters (2014年)

时间:2024-06-07 03:36:19
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文件名称:Theory Study of the Adsorption ofHydrocyanic Acid onto Small Silver Clusters (2014年)

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更新时间:2024-06-07 03:36:19

工程技术 论文

Density functional theory calculations have been performed to study the interactionof small silver clusters, Ag2~Ag9, with HCN. The adsorption of HCN on-top site of the silvercluster, among various possible sites, is energetically preferred. The adsorptio


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