Fig. 6: DFT calculations about the electronic structure with Mg and vacancy doping.
a The calculated pDOS of NM, NMV, and NMV-M; The partial charge density of b NM and c NMV; d COHP calculations of the Mn–O bond in NMV and NMV-M.
Fig. 6: DFT calculations about the electronic structure with Mg and vacancy doping. | Nature Communications
