Nasicon material NaZr₂(PO₄)₃: a novel storage material for sodium-ion batteries

Abstract

A new type of anode material for sodium-ion batteries is proposed which has been synthesized through solid state reaction. The galvanostatic charge/discharge cycling is carried out with a voltage range of 0.01–2.5 V vs. Na+/Na. First-principles calculations are also employed to theoretically investigate the crystal structure change and the insertion–extraction mechanism of Na ions in the NaZr2(PO4)3 structure. The Nasicon material exhibits an excellent reversible charge/discharge capacity under different current densities, which is mainly attributed to the open and strongly bonded NaZr2(PO4)3 structure, allowing the high mobility of the Na ions tunnelling through the PO4–ZrO6 polyhedra chain.