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Title: Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study

Authors:
ORCiD logo [1] ;  [2] ;  [2] ;  [3] ;  [3] ;  [3]
  1. Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan
  2. Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan
  3. Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242, USA
Publication Date:
Grant/Contract Number:
# DE-FG02-04ER-46130
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: 22; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1421232

Shimamura, Kohei, Hakamata, Tomoya, Shimojo, Fuyuki, Kalia, Rajiv K., Nakano, Aiichiro, and Vashishta, Priya. Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study. United States: N. p., Web. doi:10.1063/1.4971791.
Shimamura, Kohei, Hakamata, Tomoya, Shimojo, Fuyuki, Kalia, Rajiv K., Nakano, Aiichiro, & Vashishta, Priya. Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study. United States. doi:10.1063/1.4971791.
Shimamura, Kohei, Hakamata, Tomoya, Shimojo, Fuyuki, Kalia, Rajiv K., Nakano, Aiichiro, and Vashishta, Priya. 2016. "Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study". United States. doi:10.1063/1.4971791.
@article{osti_1421232,
title = {Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study},
author = {Shimamura, Kohei and Hakamata, Tomoya and Shimojo, Fuyuki and Kalia, Rajiv K. and Nakano, Aiichiro and Vashishta, Priya},
abstractNote = {},
doi = {10.1063/1.4971791},
journal = {Journal of Chemical Physics},
number = 22,
volume = 145,
place = {United States},
year = {2016},
month = {12}
}

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