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Niobates are regarded as prospective Li + -storage anode candidates due to the rich chemistry of niobium and crystal-structural openness. However, the exploration of niobates is still insufficient. In this study, we explore CuNb 3 O 8  with a large theoretical capacity is 341.9 mAh g –1  as a high-performance anode compound. The reversible redox reaction among Nb 5+ , Nb 4+  and Nb 3+  during lithiation/delithiation is confirmed by  ex-situ  XPS, and a large reversible capacity of 231.8 mAh g –1  and safe lithiation potential of 1.53 V are achieved at 0.1 C. An intercalation-type Li + -storage mechanism is confirmed by  in-situ  XRD after the first lithiation process, guaranteeing the good cyclability from the second discharge–charge cycles. The Li +  diffusivity in CuNb 3 O 8  is systematically and carefully studied. The galvanostatic intermittent titration technique tests show large Li +  diffusion coefficients of 1.2 × 10 –12 /1.5 × 10 –12  cm 2  s –1  during lithiation/delithiation, and the corresponding values obtained through the cyclic voltammetry technique are similar (2.2 × 10 –12 /3.0 × 10 –12  cm 2  s –1 ). Additionally, CuNb 3 O 8  is successfully coupled with LiFePO 4 , and the resultant CuNb 3 O 8 //LiFePO 4  full cell also exhibits good electrochemical properties, demonstrating the practicability of CuNb 3 O 8  for large-scale energy-storage applications.

The exploration of a CuNb 3 O 8 Li + -storage anode compound