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cond-mat.mtrl-sci2004
Computation of Madelung Energies for Ionic Crystals of Variable Stoichiometries and Mixed Valencies and their application in Lithium-ion battery voltage modelling
K. Ragavendran, D. Vasudevan, A. Veluchamy +1
Electrostatic energy (Madelung energy) is a major constituent of the cohesive energy of ionic crystals. Several physicochemical properties of these materials depend on the response…
cond-mat.mtrl-sci2004
A Madelung-Buckingham Model for the Variation of the Cubic Lattice Constant of LixMn2O4 during the charge and discharge of the Lithium-ion Battery
Daniel Sherwood, Bosco Emmanuel
LixMn2O4 is an important cathode material for the Li ion battery. During battery charging, the stoichiometry x varies continuously from 1 to zero and on discharging it varies from…