volume 1, issue 1, P96-102 2019
DOI: 10.1021/acsmaterialslett.9b00099
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Abstract: In this work, we show that the well-known lithium-ion anode material, Li 4 Ti 5 O 12 , exhibits exceptionally high initial capacity of 310 mAh g −1 when it is discharged to 0.01 V. It maintains a reversible capacity of 230 mAh g −1 , far exceeding the "theoretical" capacity of 175 mAh g −1 when this anode is lithiated to the composition Li 7 Ti 5 O 12 . Neutron diffraction analyses identify that additional Li reversibly enters into the Li 7 Ti 5 O 12 to form Li 8 Ti 5 O 12 . density functional theory (DFT) cal…

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