Application of first-principles calculations to the design of rechargeable Li-batteries
- 19 May 1997
- journal article
- Published by Elsevier in Computational Materials Science
- Vol. 8 (1-2) , 161-169
- https://doi.org/10.1016/s0927-0256(97)00029-3
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- A Computational Study of Oxygen Ordering in YBa2Cu3Oz and its Relation to SuperconductivityMolecular Simulation, 1994
- A derivation of the Ising model for the computation of phase diagramsComputational Materials Science, 1993
- First-principles phase-stability study of fcc alloys in the Ti-Al systemPhysical Review B, 1992
- Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li x CoO2Journal of the Electrochemical Society, 1992
- First-principles calculation of the Ag-Cu phase diagramPhysical Review B, 1991
- First-principles calculation of the relaxation around a vacancy and the vacancy formation energy in BCC LiJournal of Physics: Condensed Matter, 1991
- Pseudopotential methods in condensed matter applicationsComputer Physics Reports, 1989
- Total energy calculations in solid state physicsReports on Progress in Physics, 1988
- LixCoO2 (0<x⩽1): A new cathode material for batteries of high energy densitySolid State Ionics, 1981
- Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B, 1981