N. Mykytenko; A. Kiv; D. Fuks
Volume 7, Issue 4 , April 2016, , Pages 307-311
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 (s). 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. ...
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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 (s). 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 of s. 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.
David L. Fuks; Arnold E. Kiv
Volume 4, Issue 5 , May 2013, , Pages 328-331
Abstract
Anchor Practically applicable approach for the fabrication of ABO3 perovskites with high rates of ionic transport is developed. The ionic transport in perovskites with transition metals at B – site is considered in terms of the theory of coordination compounds. It is shown that the structure of ...
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Anchor Practically applicable approach for the fabrication of ABO3 perovskites with high rates of ionic transport is developed. The ionic transport in perovskites with transition metals at B – site is considered in terms of the theory of coordination compounds. It is shown that the structure of these materials is sensitive to the values of the effective charge of the ions of transition metals (Z * ) and to the electronegativity (χ) of the surrounding cations. The magnitudes of Z * and χ can be varied by choosing the appropriate elements at sites A and B to induce a distortion of the short range order. This leads to reduction of potential barriers for formation and migration of structural defects including oxygen vacancies. In typical perovskites a correlation between the rates of the ionic transport and the estimated values of Z * and χ is found.
