A novel layered birnessite-type sodium molybdate as dual-ion electrodes for high capacity battery. (10th December 2020) - Li, Xuhai
Abstract: A birnessite-type Na1/3 MoO2 H2 O with a large interlayer distance has been synthesized by solid-state reaction and water treatment for the first time. The obtained Na1/3 MoO2 H2 O is phase-pure and well-crystallized as determined by X-ray structure refinement and presents a typical plate-like microstructure. Surprisingly, the Na1/3 MoO2 H2 O can be used as both anode and cathode electrodes for Li-ion batteries (LIBs), which shows long cycle life ((anode, 500 cycles~650 mAh g −1 ), and high capacity of 300 mAh g −1 (cathode). This high performance is ascribed to the PF6 − intercalation mechanism of Na1/3 MoO2 H2 O based on the density functional theory (DFT) calculations. This work offers an efficient way for the design of electrode materials and sheds light on the application of the Na1/3 MoO2 H2 O for high capacity dual-ion batteries (DIBs).