LATTICE-SIMULATION INVESTIGATIONS OF THE MIGRATION OF LITHIUM IN INTERCALATED GRAPHITE

被引：9

作者：

CORISH, J

JUGIE, F

MORTONBLAKE, DA

LESLIE, M

BENIERE, F

机构：

[1] SERC,DARESBURY LAB,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND

[2] UNIV RENNES 1,SCI MAT LAB,F-35042 RENNES,FRANCE

来源：

PHYSICAL REVIEW B | 1990年 / 41卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.41.10870

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have repeated a simulation investigation [Phys. Rev. B 37, 4180 (1988)] of the migration of a Li+ ion in C6Li using an improved method which takes account of bond directionality. We have also extended the study to the second-stage compound C12Li. The respective migration energies calculated, 0.24 and 0.35 eV, are within the range of reported experimental values, and we find relative energy wells for the Li+ ions in a C6 ring between those of the initial and final configurations. © 1990 The American Physical Society.

引用

页码：10870 / 10871

页数：2

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