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

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

doi:10.1021/acs.jpclett.7b00665

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

Journal Article · Tue Apr 25 00:00:00 EDT 2017 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.7b00665· OSTI ID:1417380

Wang, Pan ^[1]; Guan, Jiwen ^[1]; Galeschuk, Draven T. K. ^[2]; Yao, Yansun ^[3]; He, Cindy F. ^[1]; Jiang, Shan ^[1]; Zhang, Sijia ^[4]; Liu, Ying ^[4]; Jin, Meiling ^[4]; Jin, Changqing ^[4];

^[1]

Univ. of Western Ontario, London, ON (Canada)
Univ. of Saskatchewan, Saskatoon, SK (Canada)
Univ. of Saskatchewan, Saskatoon, SK (Canada); Canadian Light Source Inc., Saskatoon, SK (Canada)
Chinese Academy of Sciences (CAS), Beijing (China)

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. Lastly, 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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: Canadian Foundation for Innovation

OSTI ID:: 1417380

Journal Information:: Journal of Physical Chemistry Letters, Vol. 8, Issue 10; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 87 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
chemical structure
compression
physical and chemical processes
electrical conductivity
phase transitions

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

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