标题:Study on the Enhanced Visible photocatalysis Activity in transition metal doped ZnS
作者:Guan, Li; Wu, Ailing; Gu, Tingkun; Yu, Weiwei
作者机构:[Guan, Li; Wu, Ailing; Yu, Weiwei] Shandong Univ, Sch Space Sci & Phys, Weihai 264209, Peoples R China.; [Gu, Tingkun] Shandong Univ, Sch Elect Engn 更多
会议名称:2nd International Conference on Energy and Environmental Protection (ICEEP 2013)
会议日期:APR 19-21, 2013
来源:RESOURCES AND SUSTAINABLE DEVELOPMENT, PTS 1-4
出版年:2013
卷:734-737
页码:2351-2355
DOI:10.4028/www.scientific.net/AMR.734-737.2351
关键词:density functional theory; ZnS; transition metal doped; photocatalysis
摘要:The electronic structure and optical properties of pristine and Pd-doped or Ag-doped zinc blende ZnS were calculated with the ab-initio ultrasoft pseudopotential plane wave approximation method based on density functional theory(DFT). The results show that doping significantly alters the system band structure and the electronic density of states (DOS), effectivly enhancing the ZnS optical response and the photocatalytic activity in the visible light range. The microscopic mechanism shows that ZnS photocatalysis efficiency is observably improved through doping.
收录类别:CPCI-S;EI;SCOPUS
资源类型:会议论文;期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84884734224&doi=10.4028%2fwww.scientific.net%2fAMR.734-737.2351&partnerID=40&md5=48805cf98dd142d4a123207eaacc7f2d
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