Adsorption Site and State of Nitrogen Atom on Ru(0001), (10(1)over-bar0) Low-index and (11(2)over-bar0), (11(2)over-bar1) Stepped Surfaces

被引：0
|
作者：
Diao Zhao-yu [1 ]
Yu Hai-yan [1 ]
Wang Zhong-ni [1 ]
Zhang Xue-na [1 ]
Wang Ze-xin [1 ]
机构：
[1] Shandong Normal Univ, Dept Chem, Jinan 250014, Peoples R China
来源：
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES | 2009年 / 25卷 / 05期
关键词：
N-Ru system; 5-MP; Surface adsorption; HYDROGEN-ATOM; VIBRATIONAL CHARACTERIZATION; RU(1120) SURFACE; LATERAL ORDER; O ATOM; DISSOCIATION; RU(10(1)OVER-BAR0); DEHYDROGENATION; DIFFUSION; COVERAGE;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The adsorptions of nitrogen atoms on Ru(0001), (10 (1) over bar0) low index surfaces and (11 (2) over bar0), (11 (2) over bar1) stepped surfaces were investigated by the Five-parameter Morse potential(5-MP) method in details. Calculated results demonstrate that N atoms show a tendency to be adsorbed at threefold sites. No subsurface state was found for N atoms on Ru(10 (1) over bar0) surface. There exist 6 stable adsorption sites for N atoms on Ru(11 (1) over bar1) stepped surface which can be classified into 3 types: the on-surface adsorption state, the facet adsorption state and the subsurface state. Moreover, two new perpendicular vibrations at 97 and 98 meV are predicted. All calculated results are in good accord with HR-EELS experiments.
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页码：705 / 710
页数：6
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