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Title: A DFT study of water adsorption on rutile TiO 2 (110) surface: The effects of surface steps

Authors:
 [1];  [2];  [2];  [3];  [3]
  1. State Key Laboratory of Robotics and System, and School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China, Department of Chemical and Biomolecular Engineering, and Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, Tennessee 37235-1604, USA
  2. State Key Laboratory of Robotics and System, and School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001, People’s Republic of China
  3. Department of Chemical and Biomolecular Engineering, and Multiscale Modeling and Simulation Center, Vanderbilt University, Nashville, Tennessee 37235-1604, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1272640
Grant/Contract Number:  
AC02-05CH11231; AC05-00OR22725
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 145 Journal Issue: 4; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Zheng, Ting, Wu, Chunya, Chen, Mingjun, Zhang, Yu, and Cummings, Peter T. A DFT study of water adsorption on rutile TiO 2 (110) surface: The effects of surface steps. United States: N. p., 2016. Web. doi:10.1063/1.4958969.
Zheng, Ting, Wu, Chunya, Chen, Mingjun, Zhang, Yu, & Cummings, Peter T. A DFT study of water adsorption on rutile TiO 2 (110) surface: The effects of surface steps. United States. doi:10.1063/1.4958969.
Zheng, Ting, Wu, Chunya, Chen, Mingjun, Zhang, Yu, and Cummings, Peter T. Thu . "A DFT study of water adsorption on rutile TiO 2 (110) surface: The effects of surface steps". United States. doi:10.1063/1.4958969.
@article{osti_1272640,
title = {A DFT study of water adsorption on rutile TiO 2 (110) surface: The effects of surface steps},
author = {Zheng, Ting and Wu, Chunya and Chen, Mingjun and Zhang, Yu and Cummings, Peter T.},
abstractNote = {},
doi = {10.1063/1.4958969},
journal = {Journal of Chemical Physics},
number = 4,
volume = 145,
place = {United States},
year = {2016},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4958969

Citation Metrics:
Cited by: 4 works
Citation information provided by
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865