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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:
 [1];  [2];  [3];  [2];  [1];  [4];  [2];  [2];  [2];  [5];  [6];  [3];  [5];  [7];  [8];  [3];  [2];  [9];  [1];  [10] more »;  [11] « less
  1. CSIRO Energy Centre, Mayfield West (Australia)
  2. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  3. Univ. of Cambridge, Cambridge (United Kingdom)
  4. Yonsei Univ., Seoul (Korea)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Xi'an Jiaotong Univ., Xi'an (China)
  7. Cardiff Univ., Cardiff (United Kingdom)
  8. European Synchrotron Radiation Facility, Grenoble (France)
  9. Yonsei Univ., Seoul (Korea); Imperial College London, London (United Kingdom)
  10. Univ. of Sheffield, Sheffield (United Kingdom)
  11. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. of Cambridge, Cambridge (United Kingdom)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1503396
Alternate Identifier(s):
OSTI ID: 1492097; OSTI ID: 1503659
Grant/Contract Number:  
AC02-05CH11231; AC02-05CH1123
Resource Type:
Journal Article: Published Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 12; Journal Issue: 2; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
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 States: N. p., 2019. Web. doi: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 States. doi: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. Tue . "Lattice strain causes non-radiative losses in halide perovskites". United States. doi: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},
issn = {1754-5692},
number = 2,
volume = 12,
place = {United States},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1039/c8ee02751j

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Cited by: 6 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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Works referenced in this record:

Strong Internal and External Luminescence as Solar Cells Approach the Shockley–Queisser Limit
journal, July 2012

  • Miller, Owen D.; Yablonovitch, Eli; Kurtz, Sarah R.
  • IEEE Journal of Photovoltaics, Vol. 2, Issue 3, p. 303-311
  • DOI: 10.1109/JPHOTOV.2012.2198434

    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.