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This content will become publicly available on July 25, 2017

Title: A DFT study of water adsorption on rutile TiO2 (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:
OSTI Identifier:
1272640
Grant/Contract Number:
AC02-05CH11231; AC05-00OR22725
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 145; Journal Issue: 4; Related Information: CHORUS Timestamp: 2016-08-01 13:19:06; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English