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…