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[×ÊÔ´] ¡¾×ÊÔ´¡¿ï®µç³ØÅ£ÈËP.G.BruceÔÚNature MaterialsÉϵÄ×îÐÂÎÄÕÂ201103 ÒÑÓÐ5È˲ÎÓë

The lithium intercalation process in the low-voltage lithium battery anode LiVO2

Abstract£ºLithium can be reversibly intercalated into layered Li1CxV1􀀀xO2 (LiCoO2 structure) at 0:1 V, but only if x>0. The low voltage
combined with a higher density than graphite results in a higher theoretical volumetric energy density; important for future
applications in portable electronics and electric vehicles. Here we investigate the crucial question, why Li cannot intercalate
into LiVO2 but Li-rich compositions switch on intercalation at an unprecedented low voltage for an oxide? We show that LiC
intercalated into tetrahedral sites are energetically more stable for Li-rich compositions, as they share a face with LiC on the V
site in the transition metal layers. Li incorporation triggers shearing of the oxide layers from cubic to hexagonal packing because
the Li2VO2 structure can accommodate two Li per formula unit in tetrahedral sites without face sharing. Such understanding is
important for the future design and optimization of low-voltage intercalation anodes for lithium batteries.

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