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dc.contributor.authorTAN Kai
dc.contributor.author谭凯
dc.contributor.authorLIN Meng-Hai
dc.contributor.author林梦海
dc.contributor.authorWANG Nan-Qin
dc.contributor.author王南钦
dc.contributor.authorZHANG Qian-Er
dc.contributor.author张乾二
dc.date.accessioned2011-11-15T14:44:17Z
dc.date.available2011-11-15T14:44:17Z
dc.date.issued2005
dc.identifier.citationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2005,26(6):1118-1121zh_CN
dc.identifier.issn0251-0790
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/11186
dc.description.abstractAccording to metal oxide cluster modeling principle, we have calculated TiO2(110) surfaces by means of density functional theory. The calculation results demonstrate that the theoretical description of solid character and electronic state explains the electronic behaviour of metal adsorbed on TiO2 surface. The surface energy gap and the electronic structures were compared with the experimental data. Our studies of model also demonstrate the efficiency of the other metal oxide surface.zh_CN
dc.language.isozhzh_CN
dc.publisherHIGHER EDUCATION PRESSzh_CN
dc.subjectrutilezh_CN
dc.subjectcluster modelzh_CN
dc.subjectdensity functional theory (DFT)zh_CN
dc.titleDFT study of inserted cluster modeling of rutile TiO2(110) surfacezh_CN
dc.typeArticlezh_CN


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