Theoretical approach for protonic conduction in perovskite-oxide ceramics

被引：42

作者：

Matsushita, E

Tanase, A

机构：

[1] Gifu Univ, Gifu, Japan

来源：

SOLID STATE IONICS | 1997年 / 97卷 / 1-4期

关键词：

proton tunneling; perovskite oxide; isotope effect;

D O I：

10.1016/S0167-2738(97)00090-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In perovskite-type oxide based protonic conductors (ex. Sc-doped SrTiO3), a quantum mechanical calculation is developed to suggest the conduction mechanism. By extending one-dimensional O-H(D)... O hydrogen bonds to a three-dimensional bond network, the zero-point vibration and tunneling motion of a proton (or deuteron) on the bond are investigated in the perovskite structure. Numerical results are given and used to interpret the H(D)-isotope effect on the electrical conductivity and the infrared absorption spectra.

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页码：45 / 50

页数：6

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