Surfactant Effects of Au on Polar ZnO Surfaces  

作　　者：危书义 王治国 杨宗献 

机构地区：[1]College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007

出　　处：《Chinese Physics Letters》2007年第3期800-802,共3页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant Nos 10674042 and 60476047, the Natural Science Foundation of Henan Province under Grant No 0611053800, and the Henan Innovation Project for University Prominent Research Talents （HAIPURT： No.2007KYCX004）.

摘　　要：The electronic properties of one monolayer of Au atoms on polar ZnO surfaces are examined by first-principles slab calculations. It is found that an Au ad-layer on top of the surface is energetically more favourable than other gold diffused cases, and Au capping layer on the ZnO polar surfaces may modify the growing properties of ZnO nanostructures by enhancing the binding energy.The electronic properties of one monolayer of Au atoms on polar ZnO surfaces are examined by first-principles slab calculations. It is found that an Au ad-layer on top of the surface is energetically more favourable than other gold diffused cases, and Au capping layer on the ZnO polar surfaces may modify the growing properties of ZnO nanostructures by enhancing the binding energy.

关 键 词：METALS 

分 类 号：O59[理学—应用物理]