Lattice-simulation investigation of the migration of lithium inLi
- 15 March 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 37 (8) , 4180-4187
- https://doi.org/10.1103/physrevb.37.4180
Abstract
A lithium-carbon interatomic potential function is calculated from molecular experimental data and, applying a lattice-simulation method, is used to compute the energies of the first-stage graphite intercalate Li. A vacancy mechanism for the migration of a ion within a lithium layer is proposed, involving a calculated activation energy for migration of 0.18 eV.
Keywords
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