Journal
MOLECULES
Volume 26, Issue 11, Pages -Publisher
MDPI
DOI: 10.3390/molecules26113173
Keywords
layered oxide cathodes; alkali-alkali interactions; electronic structure; Li diffusion
Funding
- U.S. Department of Energy [DE-AC02-05CH11231]
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Layered intercalation compounds play a key role in rechargeable Li-ion batteries, with factors such as structure topology, electronic structure, and chemistry influencing their electrochemical performance. Emerging Li-ion cathodes go beyond these compounds by utilizing disordered rocksalt Li-excess structures, which may help overcome resource limitations in the era of clean energy technology.
Layered intercalation compounds are the dominant cathode materials for rechargeable Li-ion batteries. In this article we summarize in a pedagogical way our work in understanding how the structure's topology, electronic structure, and chemistry interact to determine its electrochemical performance. We discuss how alkali-alkali interactions within the Li layer influence the voltage profile, the role of the transition metal electronic structure in dictating O3-structural stability, and the mechanism for alkali diffusion. We then briefly delve into emerging, next-generation Li-ion cathodes that move beyond layered intercalation hosts by discussing disordered rocksalt Li-excess structures, a class of materials which may be essential in circumventing impending resource limitations in our era of clean energy technology.
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