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Vol. 23 No. 8 (2011): Vol 23 Issue 8

Oxygen Atom Adsorption and Diffusion on Pd(110) and Missing-Row (110) Surfaces

Xiangfeng Jia
School of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan, Shandong 250101, P.R. China
Xingwang Shi
Department of Public Order, Shandong Police College, Jinan, Shandong 250101, P.R. China
Shuaiqin Yu
Institute of Ocean Materials and Engineering, Shanghai Maritime University, Shanghai 200135, P.R. China

Corresponding Author(s) : Xiangfeng Jia

jiaxf@sdjzu.edu.cn

Asian Journal of Chemistry, Vol. 23 No. 8 (2011): Vol 23 Issue 8

Abstract

The adsorption and diffusion of an oxygen atom on Pd (110) and its missing-row surfaces were investigated in detail with five-parameter Morse potential (5-MP). The calculation results show that O atom adsorbs in the three-fold hollow site and the long-bridge site is a stable site both in regular Pd (110) surface and in the (1 × 2) missing-row reconstruction structure.

Keywords

Oxygen atom five-parameter Morse potential Adsorption Diffusion Pd surface Step surfaces
(1)
Jia, X.; Shi, X.; Yu, S. Oxygen Atom Adsorption and Diffusion on Pd(110) and Missing-Row (110) Surfaces. ajc 2011, 23, 3639-3642.
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