期刊
SURFACE SCIENCE
卷 602, 期 17, 页码 2840-2844出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2008.07.016
关键词
density-functional calculations; surface segregation; palladium; silver; hydrogen
资金
- Norwegian Research Council
- US Department of Energy [DE-FG26-05NT42453]
It is well known that silver segregates to the surface of pure and ideal Pd-Ag alloy surfaces. By first-principles band-structure calculations it is shown in this paper how this may be changed when hydrogen is adsorbed on a Pd-Ag(111) surface. Due to hydrogen binding more strongly to palladium than to silver, there is a clear energy gain from a reversal of the surface segregation. Hydrogen-induced segregation may provide a fundamental explanation for the hydrogen or reducing treatments that are required to activate hydrogen-selective membrane or catalyst performance. (C) 2008 Elsevier B.V. All rights reserved.
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