Band-Gap States of TiO2(110): Major Contribution from Surface Defects

	Band-Gap States of TiO2(110): Major Contribution from Surface Defects
	Mao, Xinchun 1; Lang, Xiufeng 2; Wang, Zhiqiang 1; Hao, Qunqing 1; Wen, Bo 2,3; Ren, Zefeng 3; Dai, Dongxu 1; Zhou, Chuanyao 1; Liu, Li-Min 2; Yang, Xueming 1
刊名	journal of physical chemistry letters
	2013-11-21
卷号	4 期号:22 页码:3839-3844
通讯作者	周传耀 ; 刘利民 ; 杨学明
产权排序	待补充
合作状况	英
英文摘要	many physical and chemical processes on tio2 surface are linked to the excess electrons originated from band gap states. however, the sources (surface and/or subsurface defects) of these states are controversial. we present quantitative ultraviolet photoelectron spectroscopy (ups) measurements on the band gap states of tio2(110) with constant subsurface defect density and varied surface bridging hydroxyls (obrh) prepared through photocatalyzed splitting of methanol, in combination with density functional theory (dft) calculations. our results clearly suggest both surface and subsurface defects contribute to the band gap states, whereas the contribution of subsurface defects corresponds to that of only 1.9% monolayer obrh at the current bulk reduction level. as the surface defect concentration is usually much larger than 1.9% monolayer in real studies and applications, our work demonstrates the importance of surface defects in changing the electronic structure of tio2, which dictates the surface chemistry.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences ; technology
类目[WOS]	chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; science & technology - other topics ; materials science ; physics
关键词[WOS]	semiconductor photocatalysis ; reduced tio2(110) ; oxygen vacancies ; oh groups ; water ; tio2 ; o-2 ; dissociation ; oxidation ; dynamics
收录类别	SCI
资助信息	1，1
原文出处	3844
语种	英语
WOS记录号	WOS:000327557600005
公开日期	2014-09-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/119339]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China 3.Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Mao, Xinchun,Lang, Xiufeng,Wang, Zhiqiang,et al. Band-Gap States of TiO2(110): Major Contribution from Surface Defects[J]. journal of physical chemistry letters,2013,4(22):3839-3844.
APA	Mao, Xinchun.,Lang, Xiufeng.,Wang, Zhiqiang.,Hao, Qunqing.,Wen, Bo.,...&Yang, Xueming.(2013).Band-Gap States of TiO2(110): Major Contribution from Surface Defects.journal of physical chemistry letters,4(22),3839-3844.
MLA	Mao, Xinchun,et al."Band-Gap States of TiO2(110): Major Contribution from Surface Defects".journal of physical chemistry letters 4.22(2013):3839-3844.