Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study-Reference-Cited by-同舟云学术

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

Published:2016-12-14 Issue:22 Volume:145 Page:224503
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Shimamura Kohei¹^ORCID,Hakamata Tomoya²,Shimojo Fuyuki²,Kalia Rajiv K.³,Nakano Aiichiro³,Vashishta Priya³

Affiliation:

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

Funder

Japan Society for the Promotion of Science (JSPS)

Basic Energy Sciences (BES)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4971791

Reference61 articles.

1. Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3

2. Electron-hole diffusion lengths > 175 μm in solution-grown CH 3 NH 3 PbI 3 single crystals