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题名: Theoretical insight into the electronic, optical and photocatalytic properties of InMO4 (M = V, Nb, Ta) photocatalysts
作者: Li, Guo-Ling1, 2, 3;  Yin, Zhen1, 2
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2011
DOI: 10.1039/b921143h
卷: 13, 期:7, 页:2824-2833
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The electronic and optical properties of InMO4 (M = V, Nb, Ta) photocatalysts are studied using first-principles calculations. For all InMO4, the calculated band gaps are larger than the measured optical gaps, indicating the existence of sub-bandgap transitions. Impurity states and excitons are considered to interpret the characteristic absorption onsets in the measured UV-visible diffuse reflection spectra. The novel visible-light-active water-splitting photocatalytic properties of InMO4 are related to the sub-bandgap transitions. Correlation between the impurity states and the photocatalytic activities is discussed for InMO4 via the conventional mechanism of photocatalytic water-splitting on semiconductors. An excitonic mechanism analogous to Photosystem II in plant photosynthesis is also proposed for the photocatalytic water-splitting process on InMO4.
关键词[WOS]: VISIBLE-LIGHT IRRADIATION ;  PHOTOPHYSICAL PROPERTIES ;  WATER ;  INVO4 ;  DECOMPOSITION ;  CRYSTAL ;  INTAO4 ;  ENERGY ;  O-2 ;  H-2
语种: 英语
WOS记录号: WOS:000286890500045
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142497
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.Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China
2.Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China
3.Chinese Acad Sci, State Key Lab Catalysis, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Li, Guo-Ling,Yin, Zhen. Theoretical insight into the electronic, optical and photocatalytic properties of InMO4 (M = V, Nb, Ta) photocatalysts[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2011,13(7):2824-2833.
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