Adsorption of O atom on Ru low index and (11(2)over-bar-0), (11(2)over-bar-1) stepped surfaces

被引：0
作者：
Diao, ZY
Pang, XH
Wang, ZX [1 ]
Hao, C
机构：
[1] Shandong Normal Univ, Dept Chem, Jinan 250014, Peoples R China
[2] Ocean Univ China, Coll Chem, Qingdao 266003, Peoples R China
[3] Dalian Univ Technol, Dept Chem, Dalian 116024, Peoples R China
来源：
ACTA CHIMICA SINICA | 2005年 / 63卷 / 17期
关键词：
O-Ru system; 5-parameter Morse potential; stepped surface; surface adsorption; vibration fingerprint; frequency;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The O-Ru low index surface systems and the Ru (11 (2) over bar0), (11 (2) over bar1) stepped surface ones were studied by means of the 5-parameter Morse potential theory. The interaction between an adatom and the surface cluster (5-MP), and the correlative data about the adsorption geometry, binding energy, eigenvibration, etc. were obtained, which agree well with the experimental and theoretical results. And what is more, this work predicted the adsorption of 0 atom on Ru (11 (2) over bar1) stepped surface by the theoretical calculation and the inheritance and transformation of the vibration fingerprint property for atomic adsorption state. The factor has also considered that the 0 atom has the tendency to adsorb at 3-fold site on the HCP crystal.
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页码：1581 / 1586
页数：6
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