Structures of potential energy surfaces for hdyrogen atom adsorbing and diffusing on Ru(0001) and Ru(1010) surfaces

Acta Chimica Sinica ›› 1997, Vol. 55 ›› Issue (12): 1158-1164. Previous Articles Next Articles

Original Articles

氢原子在Ru(0001)和Ru(1010)面上吸附扩散势能面的结构

王泽新;张文霞;刁兆玉;李文华;郝策

山东师范大学化学系;山东师范大学表面和界面化学研究所;南开大学化学系

发布日期:1997-12-15

Structures of potential energy surfaces for hdyrogen atom adsorbing and diffusing on Ru(0001) and Ru(1010) surfaces

WANG ZEXIN;ZHANG WENXIA;DIAO ZHAOYU;LI WENHUA;HAO CE

Published:1997-12-15

Abstract

The 5-parameters Morse potential of interaction between hydrogen and ruthenium was constructed. The adsorption and diffusion of a hydrogen atom on Ru(0001) and Ru(1010) surfaces were studied by means of the classical pair-potential. Data of the adsorption sites, adsorption geometry, binding energy and eigenvibration energy etc. for a hydrogen atom on the above surfaces were obtained. They are in agreement with the experimental results well. Then the structures of potential energy surfaces for the above systems were systematically investigated.

Key words: SURFACE STRUCTURE, SURFACE CHEMISTRY, RUTHENIUM, DIFFUSION, HYDROGEN ATOM, SURFACES ADSORPTION, POTENTIAL ENERGY SURFACES, GAS-SOLID INTERACTIONS

CLC Number:

O647

Cite this article

WANG ZEXIN;ZHANG WENXIA;DIAO ZHAOYU;LI WENHUA;HAO CE. Structures of potential energy surfaces for hdyrogen atom adsorbing and diffusing on Ru(0001) and Ru(1010) surfaces[J]. Acta Chimica Sinica, 1997, 55(12): 1158-1164.

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氢原子在Ru(0001)和Ru(1010)面上吸附扩散势能面的结构

Structures of potential energy surfaces for hdyrogen atom adsorbing and diffusing on Ru(0001) and Ru(1010) surfaces

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