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Stabilizing lead-free all-inorganic tin halide perovskites by ion exchange

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Jiang, Junke, Onwudinanti, Chidozie K., Hatton, Ross A., Bobbert, Peter A. and Tao, Shuxia (2018) Stabilizing lead-free all-inorganic tin halide perovskites by ion exchange. Journal of Physical Chemistry C, 122 (31). pp. 17660-17667. doi:10.1021/acs.jpcc.8b04013 ISSN 1932-7447.

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Official URL: https://doi.org/10.1021/acs.jpcc.8b04013

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Abstract

Because of its thermal stability, lead-free composition, and nearly ideal optical and electronic properties, the orthorhombic CsSnI3 perovskite is considered promising as a light absorber for lead-free all-inorganic perovskite solar cells. However, the susceptibility of this three-dimensional perovskite toward oxidation in air has limited the development of solar cells based on this material. Here, we report the findings of a computational study which identifies promising Rb y Cs1-y Sn(Br x I1-x )3 perovskites for solar cell applications, prepared by substituting cations (Rb for Cs) and anions (Br for I) in CsSnI3. We show the evolution of the material electronic structure as well as its thermal and structural stabilities upon gradual substitution. Importantly, we demonstrate how the unwanted yellow phase can be suppressed by substituting Br for I in CsSn(Br x I1-x )3 with x ≥ 1/3. We predict that substitution of Rb for Cs results in a highly homogeneous solid solution and therefore an improved film quality and applicability in solar cell devices.

Item Type: Journal Article
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
SWORD Depositor: Library Publications Router
Journal or Publication Title: Journal of Physical Chemistry C
Publisher: American Chemical Society
ISSN: 1932-7447
Official Date: 9 August 2018
Dates:
DateEvent
9 August 2018Published
17 July 2018Available
17 July 2018Accepted
Volume: 122
Number: 31
Page Range: pp. 17660-17667
DOI: 10.1021/acs.jpcc.8b04013
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Open Access (Creative Commons)
Date of first compliant deposit: 25 September 2018
Date of first compliant Open Access: 16 January 2019

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