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Materials discovery and design limits in MDABCO perovskites

07 July 2022, Version 2
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We report the structures of three new materials in the MDABCO-based perovskite family. Analysis of the Goldschmidt tolerance factor and octahedral factor enable us to propose compositional limits for pseudo-cubic perovskite phase formation and suggest directions for further materials discovery in this family of new ferroelectrics.

Keywords

hybrid perovskite
MDABCO
ferroelectric
tolerance factor
materials design

Supplementary materials

Title
Description
Actions
Title
Supplementary Material
Description
Supplementary Information for Materials discovery and design limits in MDABCO halide perovskites by Gale et al.
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Title
[MDABCO]CsI3
Description
[MDABCO]CsI3 crystallographic information file
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Title
[MDABCO]NH4Cl3
Description
[MDABCO]NH4Cl3 crystallographic information file
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Title
[MDABCO]RbBr3
Description
[MDABCO]RbBr3 crystallographic information file
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Version History

Jul 07, 2022 Version 2

Version Notes

Title of manuscript corrected to be in line with metadata and SI

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License

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The content is available under CC BY NC 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2022-tbtb8-v2
D O I: 10.26434/chemrxiv-2022-tbtb8-v2 [opens in a new tab]

Funding

Royal Society of Chemistry
E21-7701710937
Diamond Light Source
CY26118-2

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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