Computational Modeling and Simulation for Rechargeable Batteries

摘要: Computational modeling is playing an increasingly important role in materials research and design. At the system level, impact of cell design, electrode thickness, morphology, new packaging techniques, numerous other factors on battery performance can be predicted with simulators based complex electrochemical transport equations. Such simulation tools have allowed industry to optimize power energy density that achieved a given set electrolyte materials. first-principles calculations, which used predict properties previously unknown ab initio, now made it possible design for higher capacity better stability. The state art computational rechargeable batteries reviewed.