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Tuning charge–discharge induced unit cell breathing in layer-structured cathode materials for lithium-ion batteries
For LiMO 2 (M=Co, Ni, Mn) cathode materials, lattice parameters, a ( b ), contract during charge. Here we report such changes in opposite directions for lithium molybdenum trioxide (Li 2 MoO 3 ). A ‘unit cell breathing’ mechanism is proposed based on crystal and electronic structural changes of tran...
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Published in: | Nature communications 2014-11, Vol.5 (1), p.5381-5381, Article 5381 |
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Main Authors: | , , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | For LiMO
2
(M=Co, Ni, Mn) cathode materials, lattice parameters,
a
(
b
), contract during charge. Here we report such changes in opposite directions for lithium molybdenum trioxide (Li
2
MoO
3
). A ‘unit cell breathing’ mechanism is proposed based on crystal and electronic structural changes of transition metal oxides during charge-discharge. Metal–metal bonding is used to explain such ‘abnormal’ behaviour and a generalized hypothesis is developed. The expansion of the metal-metal bond becomes the controlling factor for
a
(
b
) evolution during charge, in contrast to the shrinking metal-oxygen bond as controlling factor in ‘normal’ materials. The cation mixing caused by migration of molybdenum ions at higher oxidation state provides the benefits of reducing the
c
expansion range in the early stage of charging and suppressing the structure collapse at high voltage charge. These results may open a new strategy for designing layered cathode materials for high energy density lithium-ion batteries.
Battery cycling induces various changes in the electrode. Here, the authors propose a generalized hypothesis based on metal–metal bonding to rationalize the lattice changes of layer-structured cathode materials including lithium molybdenum trioxide which exhibits abnormal lattice change behaviour. |
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ISSN: | 2041-1723 2041-1723 |
DOI: | 10.1038/ncomms6381 |