Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

The Role of Grain Boundaries on Ionic Defect Migration in Metal Halide Perovskites

Phung, Nga ; Al-Ashouri, Amran ; Meloni, Simone ; Mattoni, Alessandro ; Albrecht, Steve ; Unger, Eva LU ; Merdasa, Aboma LU and Abate, Antonio (2020) In Advanced Energy Materials 10(20).
Abstract
Halide perovskites are emerging as revolutionary materials for optoelectronics. Their ionic nature and the presence of mobile ionic defects within the crystal structure have a dramatic influence on the operation of thin-film devices such as solar cells, light-emitting diodes, and transistors. Thin films are often polycrystalline and it is still under debate how grain boundaries affect the migration of ions and corresponding ionic defects. Laser excitation during photoluminescence (PL) microscopy experiments leads to formation and subsequent migration of ionic defects, which affects the dynamics of charge carrier recombination. From the microscopic observation of lateral PL distribution, the change in the distribution of ionic defects over... (More)
Halide perovskites are emerging as revolutionary materials for optoelectronics. Their ionic nature and the presence of mobile ionic defects within the crystal structure have a dramatic influence on the operation of thin-film devices such as solar cells, light-emitting diodes, and transistors. Thin films are often polycrystalline and it is still under debate how grain boundaries affect the migration of ions and corresponding ionic defects. Laser excitation during photoluminescence (PL) microscopy experiments leads to formation and subsequent migration of ionic defects, which affects the dynamics of charge carrier recombination. From the microscopic observation of lateral PL distribution, the change in the distribution of ionic defects over time can be inferred. Resolving the PL dynamics in time and space of single crystals and thin films with different grain sizes thus, provides crucial information about the influence of grain boundaries on the ionic defect movement. In conjunction with experimental observations, atomistic simulations show that defects are trapped at the grain boundaries, thus inhibiting their diffusion. Hence, with this study, a comprehensive picture highlighting a fundamental property of the material is provided while also setting a theoretical framework in which the interaction between grain boundaries and ionic defect migration can be understood. (Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Grain boundaries, halide perovskites, ion migration, molecular dynamic simulations, photoluminescence
in
Advanced Energy Materials
volume
10
issue
20
article number
1903735
publisher
Wiley-Blackwell
external identifiers
  • scopus:85083667025
ISSN
1614-6832
DOI
10.1002/aenm.201903735
language
English
LU publication?
yes
id
c0890b07-4a7a-4211-b401-f4fa5be80c61
date added to LUP
2020-05-06 10:02:11
date last changed
2023-11-20 03:54:39
@article{c0890b07-4a7a-4211-b401-f4fa5be80c61,
  abstract     = {{Halide perovskites are emerging as revolutionary materials for optoelectronics. Their ionic nature and the presence of mobile ionic defects within the crystal structure have a dramatic influence on the operation of thin-film devices such as solar cells, light-emitting diodes, and transistors. Thin films are often polycrystalline and it is still under debate how grain boundaries affect the migration of ions and corresponding ionic defects. Laser excitation during photoluminescence (PL) microscopy experiments leads to formation and subsequent migration of ionic defects, which affects the dynamics of charge carrier recombination. From the microscopic observation of lateral PL distribution, the change in the distribution of ionic defects over time can be inferred. Resolving the PL dynamics in time and space of single crystals and thin films with different grain sizes thus, provides crucial information about the influence of grain boundaries on the ionic defect movement. In conjunction with experimental observations, atomistic simulations show that defects are trapped at the grain boundaries, thus inhibiting their diffusion. Hence, with this study, a comprehensive picture highlighting a fundamental property of the material is provided while also setting a theoretical framework in which the interaction between grain boundaries and ionic defect migration can be understood.}},
  author       = {{Phung, Nga and Al-Ashouri, Amran and Meloni, Simone and Mattoni, Alessandro and Albrecht, Steve and Unger, Eva and Merdasa, Aboma and Abate, Antonio}},
  issn         = {{1614-6832}},
  keywords     = {{Grain boundaries; halide perovskites; ion migration; molecular dynamic simulations; photoluminescence}},
  language     = {{eng}},
  month        = {{04}},
  number       = {{20}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Advanced Energy Materials}},
  title        = {{The Role of Grain Boundaries on Ionic Defect Migration in Metal Halide Perovskites}},
  url          = {{https://lup.lub.lu.se/search/files/79261711/aenm.201903735.pdf}},
  doi          = {{10.1002/aenm.201903735}},
  volume       = {{10}},
  year         = {{2020}},
}