Low-Cost Computing of the Thermophysical Properties of Organic–Inorganic Halide Perovskites by Density Functional Theory Combined with the Three-Dimensional Reference Interaction Site Method
Author:
Affiliation:
1. Technology Division, Panasonic Corporation, 3-1-1 Yagumo-nakamachi, Moriguchi, Osaka 570-8501, Japan
2. Laboratory for Materials and Structures, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama, Kanagawa 226-8503, Japan
Funder
Core Research for Evolutional Science and Technology
Tokyo Institute of Technology
Panasonic
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c01171
Reference66 articles.
1. Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter‐wave spectroscopy
2. Dielectric study of CH3NH3PbX3 (X = Cl, Br, I)
3. Structural Study on Cubic–Tetragonal Transition of CH3NH3PbI3
4. Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
5. Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
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1. Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids;The Journal of Chemical Physics;2024-02-07
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