Issue 19, 2024

Rethinking tolerance factor analysis for chalcogenide perovskites

Abstract

Tolerance factor analysis has been widely used to predict suitable compositions for oxide and halide perovskites. However, in the case of the emerging chalcogenide perovskites, the predictions from the tolerance factor have failed to align with experimental observations. In this work, we reconsider how tolerance factor is being applied, specifically adjusting for the effect of increased covalency of bonding on the ionic radii. Further, we propose a series of screening steps based on the octahedral factor, tolerance factor, and electronegativity difference to better predict the formation of sulfide perovskites.

Graphical abstract: Rethinking tolerance factor analysis for chalcogenide perovskites

Supplementary files

Article information

Article type
Communication
Submitted
02 Jun 2024
Accepted
16 Jul 2024
First published
17 Jul 2024
This article is Open Access
Creative Commons BY license

Mater. Horiz., 2024,11, 4802-4808

Rethinking tolerance factor analysis for chalcogenide perovskites

J. W. Turnley, S. Agarwal and R. Agrawal, Mater. Horiz., 2024, 11, 4802 DOI: 10.1039/D4MH00689E

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