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Predicting and Screening Dielectric Transitions in a Series of Hybrid Organic–Inorganic Double Perovskites via an Extended Tolerance Factor Approach

Predicting and Screening Dielectric Transitions in a Series of Hybrid Organic–Inorganic Double... Extended Goldschmidt tolerance factor t is applied to the hybrid double perovskites (MA)2(B′B′′(CN)6) (MA=methylammonium cation) to predict and screen dielectric transitions in 121 compounds through the correlations among t, the radius of the B component rB and the transition temperature Tc, based on experimental results from model compounds. For (MA)2(B′Co(CN)6), it is concluded that: i) when t>0.873, the cubic phase would be stable below 298 K; ii) when 0.873>t>0.805, the cubic phase would be stable between 298 and 523 K; iii) the larger the rB, the higher the Tc of the perovskite (Tc1/2∝rB); and iv) the Tc of the hybrid perovskites can be well tuned by doping the B components. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Angewandte Chemie International Edition Wiley

Predicting and Screening Dielectric Transitions in a Series of Hybrid Organic–Inorganic Double Perovskites via an Extended Tolerance Factor Approach

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References (69)

Publisher
Wiley
Copyright
© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
ISSN
1433-7851
eISSN
1521-3773
DOI
10.1002/anie.201602028
pmid
27060616
Publisher site
See Article on Publisher Site

Abstract

Extended Goldschmidt tolerance factor t is applied to the hybrid double perovskites (MA)2(B′B′′(CN)6) (MA=methylammonium cation) to predict and screen dielectric transitions in 121 compounds through the correlations among t, the radius of the B component rB and the transition temperature Tc, based on experimental results from model compounds. For (MA)2(B′Co(CN)6), it is concluded that: i) when t>0.873, the cubic phase would be stable below 298 K; ii) when 0.873>t>0.805, the cubic phase would be stable between 298 and 523 K; iii) the larger the rB, the higher the Tc of the perovskite (Tc1/2∝rB); and iv) the Tc of the hybrid perovskites can be well tuned by doping the B components.

Journal

Angewandte Chemie International Edition – Wiley

Published: May 4, 2016

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