DICP OpenIR
Localized Excitation of Ti3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2
Wang, Zhiqiang1; Wen, Bo2,4; Hao, Qunqing1; Liu, Li-Min2; Zhou, Chuanyao1; Mao, Xinchun1; Lang, Xiufeng2; Yin, Wen-Jin2,5; Dai, Dongxu1; Selloni, Annabella3; Yang, Xueming1
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2015-07-22
DOI10.1021/jacs.5b04483
Volume137Issue:28Pages:9146-9152
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordCOUPLED ELECTRON-TRANSFER ; VISIBLE-LIGHT ; TITANIUM-DIOXIDE ; SURFACE SCIENCE ; BAND-GAP ; TIO2(110) SURFACE ; AQUEOUS TIO2 ; METHANOL ; WATER ; DISSOCIATION
AbstractIn reduced TiO2, electronic transitions originating from the Ti3+- induced states in the band gap are known to contribute to the photoabsorption, being in fact responsible for the material's blue color, but the excited states accessed by these transitions have not beep characterized in detail. In this work we investigate the excited state electronic structure of the prototypical ruffle TiO2(110) surface using two-photon photoemission spectroscopy (2PPE) and density functional theory (DFT) calculations. Using 2PPE, an excited resonant state derived from Ti3+ species is identified at 2.5 +/- 0.2 eV above the Fermi level (E-F) on both the reduced and hydroxylated surfaces. DFT calculations reveal that this excited state is closely related to the gap state at similar to 1.0 eV below E-F as they both result from the Jahn-Teller induced splitting of the 3d orbitals of Ti3+ ions in reduced TiO2. Localized excitation of Ti3+ ions via 3d -> 3d transitions from the gap state to this empty resonant state significantly increases the TiO2 photoabsorption and extends the absorbance to the visible region, consistent with the observed enhancement of the visible light induced photocatalytic activity of TiO2 through Ti3+ self-doping. Our work reveals the physical origin of the Ti3+ related photo absorption and visible light photocatalytic activity in prototypical TiO2, and also paves the way for the investigation of the electronic structure and photoabsorption of other metal oxides.
Language英语
WOS IDWOS:000358556200042
Citation statistics
Cited Times:79[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/146421
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Liaoning, Peoples R China
2.Beijing Computat Sci Res Ctr, Beijing 100094, Peoples R China
3.Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
4.Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China
5.Chengdu Green Energy & Green Mfg Technol R&D Ctr, Chengdu 610207, Sichuan, Peoples R China
Recommended Citation
GB/T 7714
Wang, Zhiqiang,Wen, Bo,Hao, Qunqing,et al. Localized Excitation of Ti3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2015,137(28):9146-9152.
APA Wang, Zhiqiang.,Wen, Bo.,Hao, Qunqing.,Liu, Li-Min.,Zhou, Chuanyao.,...&Yang, Xueming.(2015).Localized Excitation of Ti3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,137(28),9146-9152.
MLA Wang, Zhiqiang,et al."Localized Excitation of Ti3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137.28(2015):9146-9152.
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