Adsorption Site and State of Nitrogen Atom on Ru(0001),(1010) Low-index and (1120),(1121) Stepped Surfaces  

作　　者：DIAO Zhao-yu YU Hai-yan WANG Zhong-ni ZHANG Xue-na WANG Ze-xin 

机构地区：[1]Department of Chemistry, Shandong Normal University, Jinan 250014, P. R. China

出　　处：《Chemical Research in Chinese Universities》2009年第5期705-710,共6页高等学校化学研究（英文版）

基　　金：Supported by the Natural Science Foundation of Shandong Province,China(No.Y2006B29)

摘　　要：The adsorptions of nitrogen atoms on Ru（0001）, （1010） low index surfaces and （1120）, （1121） 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（1010） surface. There exist 6 stable adsorption sites for N atoms on Ru（1121） 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.The adsorptions of nitrogen atoms on Ru（0001）, （1010） low index surfaces and （1120）, （1121） 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（1010） surface. There exist 6 stable adsorption sites for N atoms on Ru（1121） 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.

关 键 词：N-Ru system 5-MP Surface adsorption 

分 类 号：O613.71[理学—无机化学] S153.1[理学—化学]