Materials discovery and design limits in MDABCO perovskites

Samuel D. Gale; Harry J. Lloyd; Louise Male; Mark R. Warren; Lucy K. Saunders; Paul A. Anderson; Hamish H.-M. Yeung

doi:10.1039/D2CE00848C

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Materials discovery and design limits in MDABCO perovskites†

Samuel D. Gale,

^a Harry J. Lloyd,

^ab Louise Male,

^a Mark R. Warren,^b Lucy K. Saunders,

^b Paul A. Anderson^a and Hamish H.-M. Yeung

*^a

Author affiliations

* Corresponding authors

^a School of Chemistry, University of Birmingham, UK
E-mail: h.yeung@bham.ac.uk
Tel: +44 (0)121 414 8811

^b Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, UK

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.

This article is part of the themed collection: New Talent 2022

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DOI: https://doi.org/10.1039/D2CE00848C
Article type: Paper
Submitted: 21 юни 2022
Accepted: 12 авг 2022
First published: 17 авг 2022
This article is Open Access

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CrystEngComm, 2022,24, 7272-7276

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Materials discovery and design limits in MDABCO perovskites

S. D. Gale, H. J. Lloyd, L. Male, M. R. Warren, L. K. Saunders, P. A. Anderson and H. H.-M. Yeung, CrystEngComm, 2022, 24, 7272 DOI: 10.1039/D2CE00848C

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CrystEngComm

Materials discovery and design limits in MDABCO perovskites†

Abstract

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Materials discovery and design limits in MDABCO perovskites

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