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Issue 6, 2019, Issue in Progress
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Pressure-induced effects in the inorganic halide perovskite CsGeI3

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Abstract

Perovskite photovoltaic materials are gaining significant attention due to their excellent photovoltaic properties. In this study, density functional theory calculations were performed to investigate the structure and electronic and optical properties of CsGeI3 under hydrostatic strain. The results show that the band gap of CsGeI3 can be tuned from 0.73 eV to 2.30 eV under different strain conditions. The results indicate that the change in the band gap under strain is likely to be determined by the Ge–I–Ge bond angle. Interestingly, the length of the short Ge–I bond remains unchanged, whereas that of the long Ge–I bond exhibits an evident increment with strain ranging from −4% to 4%. A suitable band gap (1.36 eV) of CsGeI3 can be obtained under a strain of −1%. Both the calculated elastic constants and the phonon spectrum imply that this structure is stable under the abovementioned condition. Bandgap narrowing induces a red shift of the light absorption spectrum of CsGeI3 by extending the onset light absorption edge. These results are important for understanding the effects of strain on the halide perovskites and guiding the experiments to improve the photovoltaic performance of the perovskite solar cells.

Graphical abstract: Pressure-induced effects in the inorganic halide perovskite CsGeI3

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Article information


Submitted
14 Dec 2018
Accepted
08 Jan 2019
First published
24 Jan 2019

This article is Open Access

RSC Adv., 2019,9, 3279-3284
Article type
Paper

Pressure-induced effects in the inorganic halide perovskite CsGeI3

D. Liu, Q. Li, H. Jing and K. Wu, RSC Adv., 2019, 9, 3279
DOI: 10.1039/C8RA10251A

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    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
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    [Original citation] - Published by The Royal Society of Chemistry.

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