NL repository
menu
검색
Library
Browse
Communities & Collections
By Date
Authors
Titles
Subject
My Repository
My Account
Receive email updates
Edit Profile
DSpace at EWHA
자연과학대학
물리학전공
Journal papers
View : 254 Download: 0
Inhomogeneous Defect Distribution in Mixed-Polytype Metal Halide Perovskites
Title
Inhomogeneous Defect Distribution in Mixed-Polytype Metal Halide Perovskites
Authors
Woo Y.W.
;
Li Z.
;
Jung Y.-K.
;
Park J.-S.
;
Walsh A.
Ewha Authors
Aron Walsh
SCOPUS Author ID
Aron Walsh
Issue Date
2023
Journal Title
ACS Energy Letters
ISSN
2380-8195
Citation
ACS Energy Letters vol. 8, no. 1, pp. 356 - 360
Publisher
American Chemical Society
Indexed
SCIE; SCOPUS
Document Type
Article
Abstract
The competition between corner-, edge-, and face-sharing octahedral networks is a cause of phase inhomogeneity in metal halide perovskite thin-films. Here we probe the charged iodine vacancy distribution and transport at the junction between cubic and hexagonal polytypes of CsPbI3 from first-principles materials modeling. We predict a lower defect formation energy in the face-sharing regions, which correlates with a longer Pb-I bond length and causes a million-fold increase in local defect concentration. These defects are predicted to be more mobile in the face-sharing regions with a reduced activation energy for vacancy-mediated diffusion. We conclude that hexagonal phase inclusions or interfaces will act as defect sinks that could influence carrier dynamics in perovskite-based solar cells and electrical devices. © 2022 The Authors. Published by American Chemical Society.
DOI
10.1021/acsenergylett.2c02306
Appears in Collections:
자연과학대학
>
물리학전공
>
Journal papers
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML
Show full item record
Find@EWHA
트윗하기
BROWSE
Communities & Collections
By Date
Authors
Titles
Subject