Adsorption and Diffusion Studies of Atomic Hydrogen on Cu(100)(111)(110)

Acta Chimica Sinica ›› 2004, Vol. 62 ›› Issue (4): 436-441. Previous Articles Next Articles

原子H在Cu(100)(111)(110)上的吸附扩散研究

王泽新, 张晓明, 庞雪辉

山东师范大学化学系, 济南, 250014

投稿日期:2003-04-30 修回日期:2003-10-21 发布日期:2014-01-26
通讯作者: 王泽新,E-mail:wangzexin@sdnu.edu.cn;Tel:0531-6188848 E-mail:wangzexin@sdnu.edu.cn
基金资助:
山东省自然科学基金(No.Y2002B09)资助项目.

Adsorption and Diffusion Studies of Atomic Hydrogen on Cu(100)(111)(110)

WANG Ze-Xin, ZHANG Xiao-Ming, PANG Xue-Hui

Department of Chemistry, Shandong Normal University, Jinan 250014

Received:2003-04-30 Revised:2003-10-21 Published:2014-01-26

Abstract

The adsorption characteristics of adsorption geometry, binding energy, eigenvalue vibration and so on, and diffusion potential energy surface structures between atomic hydrogen and three low index planes of metal Cu have been systematically studied by means of 5-parameter Morse potential. Calculations reveal that only pseudo threefold hollow site and long bridge site without short-bridge site of hydrogen atom on Cu(110) appear under the conditions of low temperature and low coverage, which are supported by experiments and theories.

Key words: 5-parameter Morse potential, adsorption and diffusion, interactions of hydrogeN₂copper, potential energy surface structure

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WANG Ze-Xin, ZHANG Xiao-Ming, PANG Xue-Hui. Adsorption and Diffusion Studies of Atomic Hydrogen on Cu(100)(111)(110)[J]. Acta Chimica Sinica, 2004, 62(4): 436-441.

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原子H在Cu(100)(111)(110)上的吸附扩散研究

Adsorption and Diffusion Studies of Atomic Hydrogen on Cu(100)(111)(110)

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