Quantum dynamics of dissociative adsorption of H2 on Ni(100) using the dynamical Lie algebraic method

被引：0
|
作者：
Daren Guan
Xizhang Yi
Shiliang Ding
Yujun Zheng
Jianyong Liu
机构：
[1] Shandong University,Institute of Theoretical Chemistry
来源：
Science in China Series B: Chemistry | 1999年 / 42卷
关键词：
dynamical Lie algebraic method; dynamics of reactive gas-surface scattering; dissociative adsorption;
D O I：
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学科分类号：
摘要：
A dynamical Lie algebraic method has been applied to treating the quantum dynamics of dissociative adsorption of H2 on a static flat metal surface. An LEPS potential energy surface has been used to describe the interaction of H2 with Ni(100) surface. The dependence of the initial state-selected dissociation probability was obtained analytically on the initial kinetic energy and time. A comparison with other theoretical calculations and experiments is made. The results show that the method can be effectively used to describe the dynamics of reactive gas-sdace scattering.
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页码：525 / 534
页数：9
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