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Title: Pressure-induced phase transformation, reversible amorphization, and anomalous visible light response in organolead bromide perovskite

Abstract

Hydrostatic pressure, as an alternative of chemical pressure to tune the crystal structure and physical properties, is a significant technique for novel function material design and fundamental research. In this article, we report the phase stability and visible light response of the organolead bromide perovskite, CH3NH3PbBr3 (MAPbBr3), under hydrostatic pressure up to 34 GPa at room temperature: Two phase transformations below 2 GPa (from Pm3¯m to Im3¯, then to Pnma) and a reversible amorphization starting from about 2 GPa were observed, which could be attributed to the tilting of PbBr6 octahedra and destroying of long-range ordering of MA cations, respectively. The visible light response of MAPbBr3 to pressure was studied by in situ photoluminescence, electric resistance, photocurrent measurements and first-principle simulations. The anomalous band gap evolution during compression with red-shift followed by blue-shift is explained by the competition between compression effect and pressure-induced amorphization. Along with the amorphization process accomplished around 25 GPa, the resistance increased by 5 orders of magnitude while the system still maintains its semiconductor characteristics and considerable response to the visible light irradiation. Lastly, our results not only show that hydrostatic pressure may provide an applicable tool for the organohalide perovskites based photovoltaic device functioning asmore » switcher or controller, but also shed light on the exploration of more amorphous organometal composites as potential light absorber.« less

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [3];  [7];  [2]
+ Show Author Affiliations
  1. Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Washington, Argonne, IL (United States); Huanghe Science and Technology College, Henan (China)
  2. Univ. of Nevada, Las Vegas, NV (United States)
  3. Carnegie Inst. of Washington, Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China)
  4. Huanghe Science and Technology College, Henan (China)
  5. Carnegie Inst. of Washington, Argonne, IL (United States)
  6. Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China)
  7. Chinese Academy of Sciences (CAS), Beijing (China)
Publication Date:
Research Org.:
Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1332921
Grant/Contract Number:  
NA0001982
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 137; Journal Issue: 34; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wang, Yonggang, Lu, Xujie, Yang, Wenge, Wen, Ting, Yang, Liuxiang, Ren, Xiangting, Wang, Lin, Lin, Zheshuai, and Zhao, Yusheng. Pressure-induced phase transformation, reversible amorphization, and anomalous visible light response in organolead bromide perovskite. United States: N. p., 2015. Web. doi:10.1021/jacs.5b06346.
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Wang, Yonggang, Lu, Xujie, Yang, Wenge, Wen, Ting, Yang, Liuxiang, Ren, Xiangting, Wang, Lin, Lin, Zheshuai, & Zhao, Yusheng. Pressure-induced phase transformation, reversible amorphization, and anomalous visible light response in organolead bromide perovskite. United States. https://doi.org/10.1021/jacs.5b06346
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Wang, Yonggang, Lu, Xujie, Yang, Wenge, Wen, Ting, Yang, Liuxiang, Ren, Xiangting, Wang, Lin, Lin, Zheshuai, and Zhao, Yusheng. Tue . "Pressure-induced phase transformation, reversible amorphization, and anomalous visible light response in organolead bromide perovskite". United States. https://doi.org/10.1021/jacs.5b06346. https://www.osti.gov/servlets/purl/1332921.
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@article{osti_1332921,
title = {Pressure-induced phase transformation, reversible amorphization, and anomalous visible light response in organolead bromide perovskite},
author = {Wang, Yonggang and Lu, Xujie and Yang, Wenge and Wen, Ting and Yang, Liuxiang and Ren, Xiangting and Wang, Lin and Lin, Zheshuai and Zhao, Yusheng},
abstractNote = {Hydrostatic pressure, as an alternative of chemical pressure to tune the crystal structure and physical properties, is a significant technique for novel function material design and fundamental research. In this article, we report the phase stability and visible light response of the organolead bromide perovskite, CH3NH3PbBr3 (MAPbBr3), under hydrostatic pressure up to 34 GPa at room temperature: Two phase transformations below 2 GPa (from Pm3¯m to Im3¯, then to Pnma) and a reversible amorphization starting from about 2 GPa were observed, which could be attributed to the tilting of PbBr6 octahedra and destroying of long-range ordering of MA cations, respectively. The visible light response of MAPbBr3 to pressure was studied by in situ photoluminescence, electric resistance, photocurrent measurements and first-principle simulations. The anomalous band gap evolution during compression with red-shift followed by blue-shift is explained by the competition between compression effect and pressure-induced amorphization. Along with the amorphization process accomplished around 25 GPa, the resistance increased by 5 orders of magnitude while the system still maintains its semiconductor characteristics and considerable response to the visible light irradiation. Lastly, our results not only show that hydrostatic pressure may provide an applicable tool for the organohalide perovskites based photovoltaic device functioning as switcher or controller, but also shed light on the exploration of more amorphous organometal composites as potential light absorber.},
doi = {10.1021/jacs.5b06346},
journal = {Journal of the American Chemical Society},
number = 34,
volume = 137,
place = {United States},
year = {Tue Aug 18 00:00:00 EDT 2015},
month = {Tue Aug 18 00:00:00 EDT 2015}
}
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    journal, April 2016

    • Zhou, Yang; You, Lu; Wang, Shiwei
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms11193

    Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH 4 ) 2 SeBr 6
    journal, March 2020

    Pressures Tuning the Band Gap of Organic–Inorganic Trihalide Perovskites (MAPbBr3): A First-Principles Study
    journal, September 2018

    • Tan, Mengping; Wang, Sanjun; Rao, Fengfei
    • Journal of Electronic Materials, Vol. 47, Issue 12
    • DOI: 10.1007/s11664-018-6653-3

    Pressure-induced effects in the inorganic halide perovskite CsGeI 3
    journal, January 2019

    • Liu, Diwen; Li, Qiaohong; Jing, Huijuan
    • RSC Advances, Vol. 9, Issue 6
    • DOI: 10.1039/c8ra10251a

    Photostriction of CH 3 NH 3 PbBr 3 Perovskite Crystals
    journal, July 2017

    • Wei, Tzu-Chiao; Wang, Hsin-Ping; Li, Ting-You
    • Advanced Materials, Vol. 29, Issue 35
    • DOI: 10.1002/adma.201701789

    Characterization of colloidal nanocrystal surface structure using small angle neutron scattering and efficient Bayesian parameter estimation
    journal, June 2019

    • Winslow, Samuel W.; Shcherbakov-Wu, Wenbi; Liu, Yun
    • The Journal of Chemical Physics, Vol. 150, Issue 24
    • DOI: 10.1063/1.5108904

    Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite
    journal, April 2016

    High-Pressure Band-Gap Engineering in Lead-Free Cs 2 AgBiBr 6 Double Perovskite
    journal, November 2017

    Pressure-induced emission of cesium lead halide perovskite nanocrystals.
    text, January 2018

    • Ma, Zhiwei; Liu, Zhun; Lu, Siyu
    • Apollo - University of Cambridge Repository
    • DOI: 10.17863/cam.33885

    Stable Blue Luminescent CsPbBr 3 Perovskite Nanocrystals Confined in Mesoporous Thin Films
    journal, June 2018

    • Malgras, Victor; Henzie, Joel; Takei, Toshiaki
    • Angewandte Chemie, Vol. 130, Issue 29
    • DOI: 10.1002/ange.201802335

    Pressure-Induced Emission Enhancement, Band-Gap Narrowing, and Metallization of Halide Perovskite Cs 3 Bi 2 I 9
    journal, July 2018

    • Zhang, Long; Liu, Chunming; Wang, Lingrui
    • Angewandte Chemie International Edition, Vol. 57, Issue 35
    • DOI: 10.1002/anie.201804310

    A Review on Energy Band‐Gap Engineering for Perovskite Photovoltaics
    journal, December 2019

    Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH 4 ) 2 SeBr 6
    journal, March 2020

    Highly Emissive Divalent-Ion-Doped Colloidal CsPb 1– x M x Br 3 Perovskite Nanocrystals through Cation Exchange
    journal, March 2017

    • van der Stam, Ward; Geuchies, Jaco J.; Altantzis, Thomas
    • Journal of the American Chemical Society, Vol. 139, Issue 11
    • DOI: 10.1021/jacs.6b13079

    Giant photostriction in organic–inorganic lead halide perovskites
    journal, April 2016

    • Zhou, Yang; You, Lu; Wang, Shiwei
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms11193

    Pressure-induced emission of cesium lead halide perovskite nanocrystals
    journal, October 2018

    Strain induced electronic structure variation in methyl-ammonium lead iodide perovskite
    journal, May 2018

    Phase transition induced strain in ZnO under high pressure
    journal, May 2016

    • Yan, Xiaozhi; Dong, Haini; Li, Yanchun
    • Scientific Reports, Vol. 6, Issue 1
    • DOI: 10.1038/srep24958

    Pressure-induced dramatic changes in organic–inorganic halide perovskites
    journal, January 2017

    • Lü, Xujie; Yang, Wenge; Jia, Quanxi
    • Chemical Science, Vol. 8, Issue 10
    • DOI: 10.1039/c7sc01845b

    Morphology Analysis and Optimization: Crucial Factor Determining the Performance of Perovskite Solar Cells
    journal, March 2017

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