Titanium Oxyfluoride as a Material for Negative Electrodes of Lithium-Ion Batteries.

A study of the electrochemical characteristics of titanium oxyfluoride obtained with the direct interaction of titanium with hydrofluoric acid is reported. Two materials T1 and T2 synthesized under different conditions in which some TiF 3 is formed in T1 are compared. Both materials exhibit conversion-type anode properties. Based on the analysis of the charge-discharge curves of the half-cell, a model is proposed according to which the first electrochemical introduction of lithium occurs in two stages: the first stage is the irreversible reaction resulting in a reduction in Ti 4+/3+ , and the second stage is the reversible reaction with a change in the charge state Ti 3+/1.5+ . The difference in material behavior is quantitative: T1 has a higher reversible capacity but lower cycling stability and a slightly higher operating voltage. The Li diffusion coefficient determined from the CVA data for both materials averages 1.2-3.0 × 10 -14 cm 2 /s. A distinctive feature of titanium oxyfluoride anodes is the asymmetry in kinetic characteristics that revealed themselves during lithium embedding and extraction. In the long cycling regime, the excess of Coulomb efficiency over 100% was found in the present study.