The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries
2016 ◽
Vol 9
(3)
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pp. 984-991
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This paper aims to identify robust descriptors to rationalize the anionic redox mechanism in layered Li-rich TM-oxides using conceptual tools, such as atomic charges, orbital interactions and crystal orbital overlap populations (COOP), based on first-principles DFT calculations.
2014 ◽
Vol 2
(30)
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pp. 11948-11957
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Keyword(s):
2019 ◽
Vol 294
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pp. 166-172
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Keyword(s):
2018 ◽
Vol 6
(7)
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pp. 3134-3140
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Keyword(s):
2014 ◽
pp. 853-857
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Keyword(s):
Keyword(s):