University of California

Massachusetts Institute of Technology

Zhengyan Lun

Gerbrand Ceder

William Lance Richards

Bin Ouyang

HuiWen Ji

Daniil Kitchaev

A class of compositions in the Li&#x2014;Mn&#x2014;O&#x2014;F chemical space for Li-ion cathode materials. The compositions are cobalt-free, high-capacity Li-ion battery cathode materials synthesized with cation-disordered rocksalt (DRX) oxide or oxyfluorides, with the general formula LiMnOF(1.1&#x2264;x&#x2264;1.3333; 0&#x2264;y&#x2264;0.6667). The compositions are characterized by: (i) high capacities (e.g., &#x3e;240 mAh/g); (ii) high energy densities (e.g., &#x3e;750 Wh/kg between 1.5-4.8V); (iii) favorable cyclability; and (iv) low cost.

Cation-disordered rocksalt lithium manganese oxides or oxyfluorides

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.

Cation-disordered rocksalt lithium metal oxides and oxyfluorides and methods of making same

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