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Title: Electronic structure and photoabsorption of Ti 3+ ions in reduced anatase and rutile TiO 2

We have used two-photon photoemission (2PPE) spectroscopy and first-principles density functional theory calculations to investigate the electronic structure and photoabsorption of the reduced anatase TiO 2 (101) and rutile TiO 2 (110) surfaces.
Authors:
ORCiD logo [1] ;  [2] ;  [1] ;  [1] ;  [2] ;  [2] ;  [2] ;  [3] ; ORCiD logo [2] ; ORCiD logo [4]
  1. Beijing Computational Science Research Center, Beijing, P. R. China
  2. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian, P. R. China
  3. Department of Chemistry, Princeton University, Princeton, USA
  4. School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, P. R. China, Beijing Computational Science Research Center
Publication Date:
Grant/Contract Number:
SC0007347
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 26; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1456289

Wen, Bo, Hao, Qunqing, Yin, Wen-Jin, Zhang, Le, Wang, Zhiqiang, Wang, Tianjun, Zhou, Chuanyao, Selloni, Annabella, Yang, Xueming, and Liu, Li-Min. Electronic structure and photoabsorption of Ti 3+ ions in reduced anatase and rutile TiO 2. United Kingdom: N. p., Web. doi:10.1039/C8CP02648C.
Wen, Bo, Hao, Qunqing, Yin, Wen-Jin, Zhang, Le, Wang, Zhiqiang, Wang, Tianjun, Zhou, Chuanyao, Selloni, Annabella, Yang, Xueming, & Liu, Li-Min. Electronic structure and photoabsorption of Ti 3+ ions in reduced anatase and rutile TiO 2. United Kingdom. doi:10.1039/C8CP02648C.
Wen, Bo, Hao, Qunqing, Yin, Wen-Jin, Zhang, Le, Wang, Zhiqiang, Wang, Tianjun, Zhou, Chuanyao, Selloni, Annabella, Yang, Xueming, and Liu, Li-Min. 2018. "Electronic structure and photoabsorption of Ti 3+ ions in reduced anatase and rutile TiO 2". United Kingdom. doi:10.1039/C8CP02648C.
@article{osti_1456289,
title = {Electronic structure and photoabsorption of Ti 3+ ions in reduced anatase and rutile TiO 2},
author = {Wen, Bo and Hao, Qunqing and Yin, Wen-Jin and Zhang, Le and Wang, Zhiqiang and Wang, Tianjun and Zhou, Chuanyao and Selloni, Annabella and Yang, Xueming and Liu, Li-Min},
abstractNote = {We have used two-photon photoemission (2PPE) spectroscopy and first-principles density functional theory calculations to investigate the electronic structure and photoabsorption of the reduced anatase TiO 2 (101) and rutile TiO 2 (110) surfaces.},
doi = {10.1039/C8CP02648C},
journal = {Physical Chemistry Chemical Physics},
number = 26,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {1}
}

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