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Title: Lattice strain causes non-radiative losses in halide perovskites

Abstract

Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale heterogeneity in key properties such as luminescence efficiency and device performance. However, the origin of the variations remains a topic of debate, and a precise understanding is critical to the rational design of defect management strategies. Through a multi-scale investigation – combining correlative synchrotron scanning X-ray diffraction and time-resolved photoluminescence measurements on the same scan area – we reveal that lattice strain is directly associated with enhanced defect concentrations and non-radiative recombination. The strain patterns have a complex heterogeneity across multiple length scales. We propose that strain arises during the film growth and crystallization and provides a driving force for defect formation. Lastly, our work sheds new light on the presence and influence of structural defects in halide perovskites, revealing new pathways to manage defects and eliminate losses.

Authors:
ORCiD logo [1];  [2];  [3];  [2]; ORCiD logo [1]; ORCiD logo [4];  [2];  [2];  [2]; ORCiD logo [5];  [6]; ORCiD logo [3];  [5];  [7];  [8];  [3];  [2]; ORCiD logo [9]; ORCiD logo [1]; ORCiD logo [10] more »; ORCiD logo [11] « less
  1. CSIRO Energy Centre, Mayfield West, Australia
  2. Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, USA
  3. Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, UK
  4. Department of Materials Science and Engineering, Yonsei University, Seoul 03722, Korea
  5. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, USA
  6. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, USA, Xi’an Jiaotong University
  7. School of Physics and Astronomy, Cardiff University, Cardiff CF24 3AA, UK
  8. European Synchrotron Radiation Facility, Grenoble, France
  9. Department of Materials Science and Engineering, Yonsei University, Seoul 03722, Korea, Department of Materials
  10. Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH, UK
  11. Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, USA, Cavendish Laboratory
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1503396
Alternate Identifier(s):
OSTI ID: 1492097; OSTI ID: 1503659
Grant/Contract Number:  
AC02-05CH1123; AC02-05CH11231
Resource Type:
Published Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Name: Energy & Environmental Science Journal Volume: 12 Journal Issue: 2; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Jones, Timothy W., Osherov, Anna, Alsari, Mejd, Sponseller, Melany, Duck, Benjamin C., Jung, Young-Kwang, Settens, Charles, Niroui, Farnaz, Brenes, Roberto, Stan, Camelia V., Li, Yao, Abdi-Jalebi, Mojtaba, Tamura, Nobumichi, Macdonald, J. Emyr, Burghammer, Manfred, Friend, Richard H., Bulović, Vladimir, Walsh, Aron, Wilson, Gregory J., Lilliu, Samuele, and Stranks, Samuel D. Lattice strain causes non-radiative losses in halide perovskites. United Kingdom: N. p., 2019. Web. https://doi.org/10.1039/C8EE02751J.
Jones, Timothy W., Osherov, Anna, Alsari, Mejd, Sponseller, Melany, Duck, Benjamin C., Jung, Young-Kwang, Settens, Charles, Niroui, Farnaz, Brenes, Roberto, Stan, Camelia V., Li, Yao, Abdi-Jalebi, Mojtaba, Tamura, Nobumichi, Macdonald, J. Emyr, Burghammer, Manfred, Friend, Richard H., Bulović, Vladimir, Walsh, Aron, Wilson, Gregory J., Lilliu, Samuele, & Stranks, Samuel D. Lattice strain causes non-radiative losses in halide perovskites. United Kingdom. https://doi.org/10.1039/C8EE02751J
Jones, Timothy W., Osherov, Anna, Alsari, Mejd, Sponseller, Melany, Duck, Benjamin C., Jung, Young-Kwang, Settens, Charles, Niroui, Farnaz, Brenes, Roberto, Stan, Camelia V., Li, Yao, Abdi-Jalebi, Mojtaba, Tamura, Nobumichi, Macdonald, J. Emyr, Burghammer, Manfred, Friend, Richard H., Bulović, Vladimir, Walsh, Aron, Wilson, Gregory J., Lilliu, Samuele, and Stranks, Samuel D. Wed . "Lattice strain causes non-radiative losses in halide perovskites". United Kingdom. https://doi.org/10.1039/C8EE02751J.
@article{osti_1503396,
title = {Lattice strain causes non-radiative losses in halide perovskites},
author = {Jones, Timothy W. and Osherov, Anna and Alsari, Mejd and Sponseller, Melany and Duck, Benjamin C. and Jung, Young-Kwang and Settens, Charles and Niroui, Farnaz and Brenes, Roberto and Stan, Camelia V. and Li, Yao and Abdi-Jalebi, Mojtaba and Tamura, Nobumichi and Macdonald, J. Emyr and Burghammer, Manfred and Friend, Richard H. and Bulović, Vladimir and Walsh, Aron and Wilson, Gregory J. and Lilliu, Samuele and Stranks, Samuel D.},
abstractNote = {Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale heterogeneity in key properties such as luminescence efficiency and device performance. However, the origin of the variations remains a topic of debate, and a precise understanding is critical to the rational design of defect management strategies. Through a multi-scale investigation – combining correlative synchrotron scanning X-ray diffraction and time-resolved photoluminescence measurements on the same scan area – we reveal that lattice strain is directly associated with enhanced defect concentrations and non-radiative recombination. The strain patterns have a complex heterogeneity across multiple length scales. We propose that strain arises during the film growth and crystallization and provides a driving force for defect formation. Lastly, our work sheds new light on the presence and influence of structural defects in halide perovskites, revealing new pathways to manage defects and eliminate losses.},
doi = {10.1039/C8EE02751J},
journal = {Energy & Environmental Science},
number = 2,
volume = 12,
place = {United Kingdom},
year = {2019},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C8EE02751J

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Cited by: 44 works
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Figures / Tables:

Figure 1 Figure 1: Characterising structural heterogeneity in MAPbI3 films on glass cover slips by $\mu$XRD. (a) Comparison of the macroscopic bulk XRD pattern with 2 the mXRD pattern (both collected at 240 K) summed over a 70 x 70 $\mu$m2 spatial region, with the key reflections labelled. Inset: SEM image ofmore » the perovskite grains along with ~ten-micrometer-sized Au fiducial marker particles. (b) Local $\langle$220$\rangle$ and (c) $\langle$222$\rangle$ diffraction peak q maps revealing substantial structural heterogeneity. (d and e) Selected slices of the $\langle$220$\rangle$ (red) and $\langle$222$\rangle$ (blue) through the maps in (b and c) illustrating the complex strain patterns present within the film. Vertical lines indicate peak position as determined through peak profile fitting and are a guide to the eye. (f) Microstrain map for the $\langle$220$\rangle$ diffraction peak. (g) Histogram of the calculated microstrain and corresponding scattering vector q for the $\langle$220$\rangle$ diffraction peak. The solid line is a linear regression fit to a scatter plot of the data, revealing a statistically-significant correlation (negligible p-value; see Methods).« less

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