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First Principles Modeling of Electrolyte Materials in All-Solid-State Batteries

N. A. W. Holzwarth,
Physics Procedia 57 29-37 (2014) local copy

This contribution reviews the series of approximations that comprise “first principles” modeling techniques which we have used in recent years to simulate ideal models of solid electrolytes, some of which are of technological interest in the development of all-solid-state battery technologies.