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Title: Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure

Abstract

Low-toxicity, air-stable methylammonium bismuth iodide (CH3NH3)3Bi2I9 has been proposed as a candidate to replace lead-based perovskites as highly efficient light absorbers for photovoltaic devices. Here, we investigated the effect of pressure on the optoelectronic properties and crystal structure of (CH3NH3)3Bi2I9 up to 65 GPa at room temperature. We achieved impressive photoluminescence enhancement and band gap narrowing over a moderate pressure range. Dramatic piezochromism from transparent red to opaque black was observed in a single crystal sample. A structural phase transition from hexagonal P63/mmc to monoclinic P21 at 5.0 GPa and completely reversible amorphization at 29.1 GPa were determined by in situ synchrotron X-ray diffraction. Moreover, the dynamically disordered MA+ organic cations in the hexagonal phase became orientationally ordered upon entering into the monoclinic phase, followed by static disorder upon amorphization. The striking enhancement of conductivity and metallization under high pressure indicate wholly new electronic properties.

Authors:
 [1];  [1]; ORCiD logo [2]; ORCiD logo [3];  [4]; ORCiD logo [1];  [5]; ORCiD logo [1]
  1. Jilin Univ., Changchun (China)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. Jilin Univ., Changchun (China); Stanford Univ., CA (United States)
  4. Stanford Univ., CA (United States)
  5. Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1529387
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 10; Journal Issue: 8; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Zhang, Long, Liu, Chunming, Lin, Yu, Wang, Kai, Ke, Feng, Liu, Cailong, Mao, Wendy L., and Zou, Bo. Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure. United States: N. p., 2019. Web. doi:10.1021/acs.jpclett.9b00595.
Zhang, Long, Liu, Chunming, Lin, Yu, Wang, Kai, Ke, Feng, Liu, Cailong, Mao, Wendy L., & Zou, Bo. Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure. United States. https://doi.org/10.1021/acs.jpclett.9b00595
Zhang, Long, Liu, Chunming, Lin, Yu, Wang, Kai, Ke, Feng, Liu, Cailong, Mao, Wendy L., and Zou, Bo. Mon . "Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure". United States. https://doi.org/10.1021/acs.jpclett.9b00595. https://www.osti.gov/servlets/purl/1529387.
@article{osti_1529387,
title = {Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure},
author = {Zhang, Long and Liu, Chunming and Lin, Yu and Wang, Kai and Ke, Feng and Liu, Cailong and Mao, Wendy L. and Zou, Bo},
abstractNote = {Low-toxicity, air-stable methylammonium bismuth iodide (CH3NH3)3Bi2I9 has been proposed as a candidate to replace lead-based perovskites as highly efficient light absorbers for photovoltaic devices. Here, we investigated the effect of pressure on the optoelectronic properties and crystal structure of (CH3NH3)3Bi2I9 up to 65 GPa at room temperature. We achieved impressive photoluminescence enhancement and band gap narrowing over a moderate pressure range. Dramatic piezochromism from transparent red to opaque black was observed in a single crystal sample. A structural phase transition from hexagonal P63/mmc to monoclinic P21 at 5.0 GPa and completely reversible amorphization at 29.1 GPa were determined by in situ synchrotron X-ray diffraction. Moreover, the dynamically disordered MA+ organic cations in the hexagonal phase became orientationally ordered upon entering into the monoclinic phase, followed by static disorder upon amorphization. The striking enhancement of conductivity and metallization under high pressure indicate wholly new electronic properties.},
doi = {10.1021/acs.jpclett.9b00595},
journal = {Journal of Physical Chemistry Letters},
number = 8,
volume = 10,
place = {United States},
year = {2019},
month = {3}
}

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Works referencing / citing this record:

High‐Pressure Band‐Gap Engineering and Metallization in the Perovskite Derivative Cs 3 Sb 2 I 9
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