Journal
NPG ASIA MATERIALS
Volume 8, Issue -, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/am.2016.7
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Funding
- US Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012118]
- U.S. Department of Energy (DOE) [DE-SC0012118] Funding Source: U.S. Department of Energy (DOE)
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The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. The scope of this review includes the monovalent lithium-and sodium-ion chemistries that are currently of the most commercial interest.
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