Your browser doesn't support javascript.
The maximum predicted content of cation vacancies in inorganic and organic-inorganic perovskites: the role of the tolerance factor.
Phys Chem Chem Phys ; 19(26): 17121-17127, 2017 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-28636683
ABSTRACT
The maximum content of cation vacancies in perovskites determines the maximum adjustment to the physical properties. By using the classical criterion of the tolerance factor, we put forward a new method to obtain the maximum content of cation vacancies in perovskites. The effective ionic radius was calculated using the weighted average method, and the limit of tolerance factors was used to determine the maximum value of the cation vacancies. The calculated results of the La1-xMnO3 and La0.75Sr0.25Mn1-yO3 materials coincide with experimental results. For application, [(A1)1-x(A2)x]1-z1(B1B2)X3 or [(A1)1-x(A2)x](B1B2)1-z2X3 (X = O, F, Cl, Br, I) inorganic and hybrid organic-inorganic perovskite materials with vacancies at the A or B sites were predicted successfully, which provides a new method to improve the physical properties of perovskite materials.

Similares

MEDLINE

...
LILACS

LIS

Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Aspecto clínico: Predição / Prognóstico Idioma: Inglês Revista: Phys Chem Chem Phys Assunto da revista: Biofísica / Química Ano de publicação: 2017 Tipo de documento: Artigo País de afiliação: China