科研之友
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摘要
Hydrogen chemisorption and diffusion on Pt and Pd decorated MoO3(010) Surfaces were examined using periodic density functional methods. The deposition of Pt and Pd oil MoO3 was first carefully investigated. The strong metal-support interactions were found to greatly reduce the catalytic activity of Pt and Pd atoms anchored at their most favorable binding sites. On the other hand, the energies and activation barriers along selected diffusion pathways indicate that hydrogen dissociation and diffusion oil the Supported Pt-5 and Pd-5 Clusters are feasible, whereas Pt Clusters exhibit better catalytic activity than Pd Clusters. Subsequently, the dissociated hydrogen atoms tend to directly diffuse onto the sublayer oxygen atoms instead of the surface oxygen atoms.
- 出版日期2010-2-25
- 单位中国科学院宁波材料技术与工程研究所
