Hydrogen reduction of vanadium in vanadium-doped LiMnPO4

• The samples of LiMnPO4 doped with vanadium were prepared.
• The samples were annealed under hydrogen atmosphere.
• The V4+ presence was proved.
• The ab initio calculations revealed the most favorable position for oxygen vacancy.
• The presence of V4+ changes magnetic properties and Raman spectra of LiMnPO4.

The samples of vanadium-doped LiMnPO4 have been synthesized by the solid-state reaction technique. To reduce the oxidation state of vanadium from V5+ to V4+, the samples have been additionally annealed under hydrogen atmosphere. The tetravalent state of vanadium was proved by analysis of V 2p X-ray photoelectron spectra. Raman spectroscopy, first-principle studies and magnetic measurements were used to determine the effect of V4+ on the Li–Mn phosphate properties.

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