Fundamentals of Electrochemical Energy Storage: Theory and Practice

The rechargeable alkali-ion battery has emerged as a transformative technology, revolutionizing portable energy storage in a wide range of applications, from small electronic devices to large electric vehicles. In this review, we combine modern theoretical and computational methods with an examination of electrochemical properties for lithium and post lithium-ion batteries. From fundamental thermodynamics and kinetics to computational techniques for materials design, we examine frameworks for deriving relationships for key battery properties such as voltage and capacity. We also explore the complexities of ion migration processes, including hopping mechanisms between lattice sites, and extend our focus to the broader field of electrochemical properties, including conductivity, redox potentials and interfacial properties. Finally, we outline perspectives on the outstanding challenges and promising opportunities in the theory and computation of rechargeable battery materials, paving the way for future advances in energy storage technology.