Correlation selection of perovskites with optimal parameters

N. Mykytenko; A. Kiv; D. Fuks

doi:10.5185/amlett.2016.5918

Correlation selection of perovskites with optimal parameters

N. Mykytenko, A. Kiv, D. Fuks

Department of Materials Engineering

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

A descriptor is constructed to predict the composition of ABO3 perovskites that do not contain transition metals and have a high level of ionic conductivity (σ). The descriptor consists of two parts: The ratio of ionic radii, RA/RB and the ratio of ionization potentials, VB/VA for A- and B- cations. Parameters for 100 perovskite compounds were considered to find the correlation dependences between the descriptor and the magnitude ofσ. Correlation selection approach is proposed to reveal a suitable correlation series. This approach allows determining the composition of perovskites that has a desirable ionic conductivity.

Original language	English
Pages (from-to)	307-311
Number of pages	5
Journal	Advanced Materials Letters
Volume	7
Issue number	4
DOIs	https://doi.org/10.5185/amlett.2016.5918
State	Published - 1 Apr 2016

Keywords

Ionic transport
Non-transition metals
Perovskites

ASJC Scopus subject areas

General Materials Science

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10.5185/amlett.2016.5918

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abstract = "A descriptor is constructed to predict the composition of ABO3 perovskites that do not contain transition metals and have a high level of ionic conductivity (σ). The descriptor consists of two parts: The ratio of ionic radii, RA/RB and the ratio of ionization potentials, VB/VA for A- and B- cations. Parameters for 100 perovskite compounds were considered to find the correlation dependences between the descriptor and the magnitude ofσ. Correlation selection approach is proposed to reveal a suitable correlation series. This approach allows determining the composition of perovskites that has a desirable ionic conductivity.",

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AB - A descriptor is constructed to predict the composition of ABO3 perovskites that do not contain transition metals and have a high level of ionic conductivity (σ). The descriptor consists of two parts: The ratio of ionic radii, RA/RB and the ratio of ionization potentials, VB/VA for A- and B- cations. Parameters for 100 perovskite compounds were considered to find the correlation dependences between the descriptor and the magnitude ofσ. Correlation selection approach is proposed to reveal a suitable correlation series. This approach allows determining the composition of perovskites that has a desirable ionic conductivity.

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KW - Non-transition metals

KW - Perovskites

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Correlation selection of perovskites with optimal parameters

Abstract

Keywords

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