University of California

Massachusetts Institute of Technology

Daniil Kitchaev

Gerbrand Ceder

William Lance Richards

Zhengyan Lun

HuiWen Ji

A disordered rocksalt lithium metal oxide and oxyfluoride as in manganese-vanadium oxides and oxyfluorides well suited for use in high capacity lithium-ion battery electrodes such as those found in lithium-ion rechargeable batteries. A lithium metal oxide or oxyfluoride example is one having a general formula: LiM'M&#x2033;OF, with the lithium metal oxide or oxyfluoride having a cation-disordered rocksalt structure of one of (a) or (b), with (a) 1.09&#x2264;x&#x2264;1.35, 0.1&#x2264;a&#x2264;0.7, 0.1&#x2264;b&#x2264;0.7, and 0&#x2264;y&#x2264;0.7; M&#x2032; is a low valent transition metal and M&#x2033; is a high-valent transition metal; and (b) 1.1&#x2264;x&#x2264;1.33, 0.1&#x2264;a&#x2264;0.41, 0.39&#x2264;b&#x2264;0.67, and 0&#x2264;y&#x2264;0.3; M&#x2032; is Mn; and M&#x2033; is V or Mo. The oxides or oxyfluorides balance accessible Li capacity and transition metal capacity. An immediate application example is for high energy density Li-cathode battery materials, where the cathode energy is a key limiting factor to overall performance. The second structure (b) is optimized for maximal accessible Li capacity.

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Goleta, CA, United States of America

Daniil Kitchaev