Theory of lithium ordering in LixTiS2

Real space renormalization group and Monte Carlo techniques are used to study the statistical mechanics of a lattice gas model of Li ordering in an intercalation battery. The dependence of the voltage on the state of charge of the battery is related to the number and types of sites available to the Li ions and to the strength and distance dependence of the Li-Li interaction. Several models are discussed and compared with the observed behaviour of LixTiS2.