%0 Journal Article
%T Adsorption and diffusion of oxygen on Pt (111) surface and subsurface<br>氧原子在Pt(111)表面和次表层的吸附与扩散
%A Lv Bing
%A Linghu Rong-Feng
%A Song Xiao-Shu
%A Wang Xiao-Lu
%A Yang Xiang-Dong
%A He Duan-Wei
%A <br>吕兵
%A 令狐荣锋
%A 宋晓书
%A 王晓璐
%A 杨向东
%A 贺端威
%J 物理学报
%D 2012
%I 
%X The adsorption and the diffusion of oxygen on the Pt (111) surface and subsurface are basic issues to understand oxidation and corrosion, which are investigated based on the density functional theory and the periodic slab model. The absorption structure is analyzed through scanning tunneling microscopy (STM) image. The diffusion processes of oxygen atoms on Pt (111) surface and subsurface are discussed in detail using the CI-NEB method. The results show that the diffusion of oxygen atoms over Pt (111) surface is easier than the diffusion into the subsurface, which is mainly because the diffusion of the subsurface needs to go through a layer of Pt atoms and must overcome a certain energy barrier. Transition metal Pt is indicated to have a strong antioxidant activity.
%K diffusion
%K absorption
%K density functional theory<br>扩散
%K 吸附
%K 密度泛函理论
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=78F360FC29C47911F5DFFD9F4A079F72&yid=99E9153A83D4CB11&vid=1D0FA33DA02ABACD&iid=DF92D298D3FF1E6E&sid=A036D62D79695BDC&eid=188F37074708ED08&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=22