Na4MnV(PO4)3 (NMVP) cathode materials have attracted significant attention as potential candidates for grid applications due to their distinctive structure and high theoretical capacity. However, their inadequate electronic conductivity compromises both cycling stability and rate capability, presenting a challenge for practical implementation. To address this issue, we employed a strategy involving Zr4+ doping and dual-carbon coating to enhance the electrochemical performance of NMVP. The resulting Na3.8MnV0.8Zr0.2( PO4)3/C/rGO composite demonstrated markedly improved rate capability (71.9 mAh g− 1 at 60 °C) and sustained cyclic stability (84.8% retention at 2 C after 1000 cycles), as validated through comprehensive kinetics assessments. The enhanced performance can be attributed to the expanded Na-ion pathways facilitated by large size ion doping and the improved electronic conductivity enabled by the dual-layer coating.

We investigated the adsorption of Na on graphene and graphene oxide, which are used as anode materials in sodium ion batteries, using density functional theory. The adsorption energy for Na on graphene was -0.507 eV at the hollow sites, implying that adsorption was favorable. In the case of graphene oxide, Na atoms were separately adsorbed on the epoxide and hydroxyl functional groups. The adsorption of Na on graphene oxide-epoxide (adsorption energy of -1.024 eV) was found to be stronger than the adsorption of Na on pristine graphene. However, the adsorption of Na on graphene oxide-hydroxyl resulted in the generation of NaOH as a by-product. Using density of states (DOS) calculations, we found that the DOS of the Na-adsorbed graphene was shifted down more than that of the Na-adsorbed graphene oxide-epoxide. In addition, the intensity of the DOS around the Fermi level for the Na-adsorbed graphene was higher than that for the Na-adsorbed graphene oxide-epoxide.