A MOLECULAR-DYNAMICS STUDY OF THE HIGH PROTON CONDUCTING PHASE OF CSHSO4

被引：63

作者：

MUNCH, W

KREUER, KD

TRAUB, U

MAIER, J

机构：

[1] Max-Planck-Institut für Festkörperforschung, 70569 Stuttgart

来源：

SOLID STATE IONICS | 1995年 / 77卷

关键词：

MOLECULAR DYNAMICS; PROTON CONDUCTIVITY; CSHSO4;

D O I：

10.1016/0167-2738(95)00045-8

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：

The results of a molecular dynamics study of the high temperature phase of CsHSO4 are presented. The estimated sulfate tetrahedra reorientation rate, and rate and activation enthalpy of the proton transfer are found to be in reasonable agreement with experimental results despite neglecting effects of hydrogen bonds on the dynamics of the host lattice.

引用

页码：10 / 14

页数：5

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