Effects of mixed O/F ligand in the Tavorite-type LiVPO4O structure

We report on a synthesis, detailed structural and chemical characterization including electrochemical properties of a lithium vanadium oxy/fluoro-phosphate material. To the best of our knowledge, we have for the first time synthesized a LiVPO4O-type phase with mixed O/F ligand. In synthesis procedure, the LiVPO4O precursor compound was fluorinated via LiF incorporation, with preservation of LiVPO4O framework structure. The operating potential of the synthesized material is increased compared to that of the LiVPO4O precursor (4.12 V vs. 3.95 V versus metallic lithium, respectively). The related increase in operating potential was assigned to the effect of intermixing O/F ligand, which is attained via the successful fluorine incorporation into LiVPO4O structure. A characterization of the investigated materials was performed using microscale-covering XRD, XANES, and NMR techniques as well as nanoscale spatially resolved imaging and analytical STEM techniques. The obtained oxy/fluoro-phosphate phase is isostr...