Vanadium based cathode?

07 July 2015 1 7K Report

I am working with vanadium based cathode(VO). From my DFT calculation fully lithiated phase appeared at 2V, but at low voltage (1.7V) partially intercalated phase appeared. Is it because at 2V fully intercalated material stable and partially intercalated phase is a unstable phase? and at 1.7V partially intercalated unstable phase becomes stable? Is there any reference article? Is it like if I discharge up to 1.7V full intercalation not possible, so I have to discharge up to 2V?

Tanmay Sarkar

Thank you Dr. Artur Braun. Change in oxidation state of vanadium may be the reason. But, I am not getting satisfactory answer. From my calculation not all the vanadiums are reducing simultaneously, few of the vanadiums in the unit cell may oxidized at same degree of lithiation (discharging).

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