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Lithium-intercalation oxides for rechargeable batteries

Ceder, Gerbrand
VanderVen, Anton
Aydınol, Mehmet Kadri
Since the introduction of the LixC/LiCoO2 cell, rechargeable lithium batteries have become the technology of choice for applications where volume or weight are a consideration (e.g., laptop computers and cell phones). The focus of current research in cathode-active materials is on less-expensive or higher-performance materials than LiCoO2. This article illustrates how first-principles calculations can play a critical role in obtaining the understanding needed to design improved cathode oxides.