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Title: Pressure-Induced Polymorphic, Optical, and Electronic Transitions of Formamidinium Lead Iodide Perovskite

Abstract

Formamidinium lead iodide (FAPbI3) perovskite as a superior solar cell material was investigated in two polymorphs at high pressures using in situ synchrotron X-ray diffraction, FTIR spectroscopy, photoluminescence (PL) spectroscopy, electrical conductivity (EC) measurements, and ab initio calculations. We identified two new structures (i.e., Imm2 and Immm) for α-FAPbI3 but only a structural distortion (in C2/c) for δ-FAPbI3 upon compression. A pressure-enhanced hydrogen bond plays a prominent role in structural modifications, as corroborated by FTIR spectroscopy. PL measurements and calculations consistently show the structure and pressure dependences of the band gap energies. Finally, EC measurements reveal drastically different transport properties of α- and δ-FAPbI3 at low pressures but a common trend to metallic states at high pressures. All of these observations suggest strongly contrasting structural stabilities and pressure-tuned optoelectric properties of the two FAPbI3 polymorphs.

Authors:
 [1];  [2];  [3];  [4];  [1];  [1];  [5];  [5];  [5];  [5]; ORCiD logo [6]
  1. Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada
  2. Department of Physics and Astronomy, The University of Western Ontario, London, Ontario N6A 3K7, Canada
  3. Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5E2, Canada
  4. Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5E2, Canada; Canadian Light Source Inc., Saskatoon, Saskatchewan S7N 2V3, Canada
  5. Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  6. Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada; Department of Physics and Astronomy, The University of Western Ontario, London, Ontario N6A 3K7, Canada; Soochow University−Western University Centre for Synchrotron Radiation Research, The University of Western Ontario, London, Ontario N6A 5B7, Canada
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1417380
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 8; Journal Issue: 10
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wang, Pan, Guan, Jiwen, Galeschuk, Draven T. K., Yao, Yansun, He, Cindy F., Jiang, Shan, Zhang, Sijia, Liu, Ying, Jin, Meiling, Jin, Changqing, and Song, Yang. Pressure-Induced Polymorphic, Optical, and Electronic Transitions of Formamidinium Lead Iodide Perovskite. United States: N. p., 2017. Web. doi:10.1021/acs.jpclett.7b00665.
Wang, Pan, Guan, Jiwen, Galeschuk, Draven T. K., Yao, Yansun, He, Cindy F., Jiang, Shan, Zhang, Sijia, Liu, Ying, Jin, Meiling, Jin, Changqing, & Song, Yang. Pressure-Induced Polymorphic, Optical, and Electronic Transitions of Formamidinium Lead Iodide Perovskite. United States. doi:10.1021/acs.jpclett.7b00665.
Wang, Pan, Guan, Jiwen, Galeschuk, Draven T. K., Yao, Yansun, He, Cindy F., Jiang, Shan, Zhang, Sijia, Liu, Ying, Jin, Meiling, Jin, Changqing, and Song, Yang. 2017. "Pressure-Induced Polymorphic, Optical, and Electronic Transitions of Formamidinium Lead Iodide Perovskite". United States. doi:10.1021/acs.jpclett.7b00665.
@article{osti_1417380,
title = {Pressure-Induced Polymorphic, Optical, and Electronic Transitions of Formamidinium Lead Iodide Perovskite},
author = {Wang, Pan and Guan, Jiwen and Galeschuk, Draven T. K. and Yao, Yansun and He, Cindy F. and Jiang, Shan and Zhang, Sijia and Liu, Ying and Jin, Meiling and Jin, Changqing and Song, Yang},
abstractNote = {Formamidinium lead iodide (FAPbI3) perovskite as a superior solar cell material was investigated in two polymorphs at high pressures using in situ synchrotron X-ray diffraction, FTIR spectroscopy, photoluminescence (PL) spectroscopy, electrical conductivity (EC) measurements, and ab initio calculations. We identified two new structures (i.e., Imm2 and Immm) for α-FAPbI3 but only a structural distortion (in C2/c) for δ-FAPbI3 upon compression. A pressure-enhanced hydrogen bond plays a prominent role in structural modifications, as corroborated by FTIR spectroscopy. PL measurements and calculations consistently show the structure and pressure dependences of the band gap energies. Finally, EC measurements reveal drastically different transport properties of α- and δ-FAPbI3 at low pressures but a common trend to metallic states at high pressures. All of these observations suggest strongly contrasting structural stabilities and pressure-tuned optoelectric properties of the two FAPbI3 polymorphs.},
doi = {10.1021/acs.jpclett.7b00665},
journal = {Journal of Physical Chemistry Letters},
number = 10,
volume = 8,
place = {United States},
year = 2017,
month = 4
}