Hydrogen dissociation and spillover on individual isolated palladium atoms.
Hydrogen dissociation and spillover on individual isolated palladium atoms.
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DOI：
10.1103/physrevlett.103.246102
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发表时间：
2009-12
影响因子：
8.6
通讯作者：
Heather L. Tierney;A. Baber;John R. Kitchin;E. C. H. Sykes
中科院分区：
文献类型：
--
作者：
Heather L. Tierney;A. Baber;John R. Kitchin;E. C. H. Sykes
使用低温扫描隧道显微镜和密度泛函理论的组合，它演示了如何的惰性基质金属的合金的性质可以影响反应途径的热力学和动力学在一个更深刻的方式比简单的稀释，电子，或几何效应。本研究揭示了单个孤立的Pd原子可以促进H2解离并溢出到Cu（111）表面上，但是对于Au（111）中相同的Pd原子阵列没有观察到相同的机制。
Using a combination of low-temperature scanning tunneling microscopy and density functional theory it is demonstrated how the nature of an inert host metal of an alloy can affect the thermodynamics and kinetics of a reaction pathway in a much more profound way than simply a dilution, electronic, or geometric effect. This study reveals that individual, isolated Pd atoms can promote H2 dissociation and spillover onto a Cu(111) surface, but that the same mechanism is not observed for an identical array of Pd atoms in Au(111).