Energetic and electronic properties of CsPbBr3 surfaces: a first-principles study
Author:
Affiliation:
1. College of Rare Earths and Faculty of Materials
2. Metallurgy and Chemistry
3. Jiangxi University of Science and Technology
4. Ganzhou
5. China
6. School of Science
Abstract
The stability phase diagrams of CsPbBr3 (100), (110) and (111) surfaces were calculated. The origin of the stability was elucidated by electronic structures.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Jiangxi Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04893C
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