期刊
CHEMICAL COMMUNICATIONS
卷 -, 期 32, 页码 3371-3373出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b708468d
关键词
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The study of adsorption and dissociation of molecular hydrogen on single crystal Au(111) and Au(001) surfaces, monoatomic rows in an extended line defect and different Au nanoparticles by means of DF calculations allows us to firmly conclude that the necessary and sufficient condition for H(2) dissociation is the existence of low coordinated Au atoms, regardless if they are in nanoparticles or at extended line defects.
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