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学科主题: 物理化学
题名: Band-Gap States of TiO2(110): Major Contribution from Surface Defects
作者: Mao, Xinchun1;  Lang, Xiufeng2;  Wang, Zhiqiang1;  Hao, Qunqing1;  Wen, Bo2, 3;  Ren, Zefeng3;  Dai, Dongxu1;  Zhou, Chuanyao1;  Liu, Li-Min2;  Yang, Xueming1
通讯作者: 周传耀 ;  刘利民 ;  杨学明
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2013-11-21
DOI: 10.1021/jz402053p
卷: 4, 期:22, 页:3839-3844
收录类别: SCI
合作性质: 
文章类型: Article
部门归属: 11
项目归属: 1102
产权排名: 待补充
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary ;  Physics, Atomic, Molecular & Chemical
资助者: 1,1
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science ;  Physics
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.
关键词[WOS]: SEMICONDUCTOR PHOTOCATALYSIS ;  REDUCED TIO2(110) ;  OXYGEN VACANCIES ;  OH GROUPS ;  WATER ;  TIO2 ;  O-2 ;  DISSOCIATION ;  OXIDATION ;  DYNAMICS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000327557600005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/119339
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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