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Interaction of TiO2- with water: Photoelectron spectroscopy and density functional calculations
文献类型:期刊
作者:Li, Ren-Zhong[1]  Xu, Hong-Guang[2]  Cao, Guo-Jin[3]  Xu, Xi-Ling[4]  Zheng, Wei-Jun[5]  
机构:[1]Xian Polytech Univ, Coll Elect & Informat, Xian 710048, Peoples R China.;Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[2]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[3]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[4]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
[5]Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.;
通讯作者:Zheng, WJ (reprint author), Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China.
年:2013
期刊名称:JOURNAL OF CHEMICAL PHYSICS影响因子和分区
卷:139
期:18
页码范围:184303
增刊:正刊
收录情况:SCI(E)(WOS:000327712800026)  EI(20135117095983)  PubMed(24320270)  
所属部门:电子信息学院
语言:外文
ISSN:0021-9606
人气指数:1845
浏览次数:1841
基金:National Natural Science Foundation of China (NSFC) [20933008]; National Natural Science Foundation of China [21301134]; Xi'an Polytechnic University; Scientific Research Program; Shanxi Provincial Education Department [2013JK0655]
摘要:
The interactions of titania with water molecules were studied via photoelectron spectroscopy and density functional calculations of TiO(OH)(2)(-) and Ti(OH)(4)(H2O)(n)(-) (n = 0-5) clusters which are corresponding to the TiO2(H2O)(-) and TiO2(H2O)(n+2)(-) (n = 0-5) systems, respectively. Experimental observation and theoretical calculations confirmed that TiO(OH)(2)(-) was produced when TiO2 interacts with one water molecule, and Ti(OH)(4)(H2O)(n)(-) (n = 0-5) were produced successively when TiO ...More
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