CAN THE MECHANISMS OF ION-TRANSPORT IN SSIS BE DETERMINED BY COMPUTER MODELING

被引:18
作者
CATLOW, CRA
机构
[1] The Royal Institution, London, W1X 4BS
关键词
D O I
10.1016/0167-2738(92)90277-V
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
Simulation methods are now used routinely to examine structural properties and transport mechanisms in solid state ionic materials. This paper will review recent applications of the techniques with a strong emphasis on their use in the elucidation of mechanism and of the factors controlling ionic mobility. We will consider crystalline, amorphous and polymeric materials. The developing field of electronic structure calculations in solid state ionics will also be briefly discussed.
引用
收藏
页码:955 / 963
页数:9
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