Defects of monolayer PbI2: a computational study-Reference-Cited by-同舟云学术

Defects of monolayer PbI2: a computational study

Published:2021 Issue:36 Volume:23 Page:20553-20559
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Han¹,Wang Xiao²^ORCID,Li Da¹^ORCID

Affiliation:

1. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, 130012, P. R. China

2. Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, P. R. China

Abstract

We performed a systematic study on the defects in PbI2 of both 1T and 1H phases by DFT calculations. The stability at the neutral and charged states was calculated. The impact of the defects on the electronic properties was also discussed.

Funder

National Natural Science Foundation of China

Nanjing University of Aeronautics and Astronautics

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/D1CP01246K

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