%0 Journal Article
%T A STUDY OF THE CHEMISORPTION OF CH3NO2 ON Cu(lll) SURFACE<br>CH3NO2在Cu(111)面吸附态的研究
%A DU ZHI-QIANG
%A ZHANG XUN-SHENG
%A <br>杜志强
%A 张训生
%J 物理学报
%D 1993
%I 
%X The chemisorption of CH3NO2 on Cu(111) surface has been studied by the semiempirical quantum mechanical method (CNDO/2) of cluster models. The results indicate that the bridge site of Cu(111) is preferable for CH3NO2 adsorption, the orientation of CH3NO2 adsorption is that -NO2 points downward to the Cu surface, and the angle between the plane ONO and Cu-Cu bond is 60o. The orientation of adsorption and the density of states calculated by CNDO/2 calculation are in agreement with the experimental results. The analyses of atomic orbital percentages show that CH3NO2 adsorption is the result of interaction of 2p atomic orbitals of 0 for CH3NO2 with 3d atomic orbitals of Cu.
%K 铜
%K 吸附
%K 亚硝酸铵
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=DE574F04278B50AB971190DADB0E22FB&yid=D418FDC97F7C2EBA&vid=ECE8E54D6034F642&iid=59906B3B2830C2C5&sid=B80136CCD8DCBAA1&eid=DB7C57A2F6AB0CB0&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=7