Intrinsic defects at the interface of the FAPbI<sub>3</sub>/MAPbI<sub>3</sub> superlattice: insight from first-principles calculations-Reference-Cited by-同舟云学术

Intrinsic defects at the interface of the FAPbI₃/MAPbI₃ superlattice: insight from first-principles calculations

Published:2023 Issue:8 Volume:25 Page:6369-6379
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cheng Liping¹²^ORCID,Xu Baoen³^ORCID,Zeng Yanli¹,Meng Lingpeng¹^ORCID

Affiliation:

1. Hebei Key Laboratory of Inorganic Nano-materials, College of Chemistry and Materials Science, Hebei Normal University, Shijiazhuang 050024, P. R. China

2. College of Chemistry and Chemical Engineering, Xingtai University, Xingtai, 054001, P. R. China

3. Technology Innovation Center of Hebei Province for Heterocyclic Compound, College of Chemical Engineering, Shijiazhuang University, Shijiazhuang 050035, P. R. China

Abstract

First-principles calculations show that FAPbI3/MAPbI3 superlattice perovskite exhibits high defect tolerance. PbI3+ is a dominant and detrimental defect and it is suggested to synthesize the FAPbI3/MAPbI3 superlattice under I-rich conditions.

Funder

Natural Science Foundation of Hebei Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05114A

Reference61 articles.

1. Phase Stability and Diffusion in Lateral Heterostructures of Methyl Ammonium Lead Halide Perovskites

2. Efficient passivation on halide perovskite by tailoring the organic molecular functional groups: First-principles investigation