First-principles Study of Doping Properties of Lead Halide Perovskites

Satoshi Akai; Takashi Nakayama

doi:10.57386/tmc.2018.0_15

2018

DOI https://doi.org/10.57386/tmc.2018.0_15

Conference information

Name : International Workshop on Ternary and Multinary Compounds

Location : [in Japanese]

Date : November 30, 2018 - December 01, 2018

First-principles Study of Doping Properties of Lead Halide Perovskites

Satoshi Akai, Takashi Nakayama

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CONFERENCE PROCEEDINGS FREE ACCESS

Pages 15-18

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Abstract

Solar cells made of lead halide perovskites like CH₃NH₃PbI₃ have attracted much attention because of their high efficiency around 23%. In this work, we study the stability and electronic properties of various substitutional dopants, using the first-principles calculations. We found that the Te and Po dopings are effective to realize the p-type system, while the Bi₂Se codoping is useful to produce the n-type syetem.

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