Multi-electron reactions and chain conversion of amorphous cathodes to improve the specific capacity of rechargeable lithium batteries

This study explores the impact of the oxidation-reduction reaction process and Mo-V diatomic coupling on lithiation by introducing Mo2B as a reducing agent into the structure of V2O5-Li3PO4 glass. The results show that the mixed system simultaneously generated B2O3, MoO3 and VO2. With the increase of B2O3, the [BO3] triangle transformed into the [BO4] tetrahedron, accompanied by the boron anomaly effect, and V5+ transformed into V4+. 65V2O5-30Li3PO4-5BMo2 (VPBMo2) showed chain conversion with an excellent specific capacity (the first discharge specific capacity was 289.9 mAh g−1), rate performance, structural stability and had the highest electronic conductivity. The lithiation mechanism of the V-Mo coupling multi-electron reaction was found to increase the specific capacity of the lithium ion battery. According to DFT calculations, the VPBMo2 showed magnetism and became metallic. After Li adsorption, the peak density of states at the Fermi level to the guide band, indicating improved conductivity of the VPBMo2.