The chemisorption and dissociation of ethylene on Pt{111} from first principles

被引：70

作者：

Ge, Q ^{[1
]}

King, DA ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 10期

关键词：

D O I：

10.1063/1.478356

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

First principles density functional theory calculations have been performed for the chemisorption and dissociation of ethylene on Pt{111}, providing a direct comparison with experimental structures and bond energies. (C) 1999 American Institute of Physics. [S0021-9606(99)71410-8].

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页码：4699 / 4702

页数：4

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