Boosting the pseudocapacitance of BiFeO3 by Zn doping for flexible battery-supercapacitor hybrid devices

Perovskite BiFeO3 (BFO) as a type of battery-type electrode materials, usually suffers from poor electrolyte ion transport in the BFO crystal. We propose a novel strategy of Zn doping to improve the ion transport and boost the faradaic pseudocapacitance of BFO for flexible battery-supercapacitor hybrid (BSH) devices. The Zn-doped BFO (Z-BFO-1) with the low Zn doping content, can maintain the crystal structure of BFO and the uniform distributions of elements. The oxygen vacancy content can be increased from BFO to Z-BFO-1, reflecting the influence of the Zn doping on the crystal structure of BFO. The Z-BFO-1 electrode with the stable crystal structure in the charge/discharge process, can provide the highest specific capacitance (223 F g−1 at 0.2 A/g) and the largest Li+ diffusion coefficient (2.386 × 10−11 cm2 s−1) among these BFO-based electrodes with different Zn doping contents. The first-principles calculations reveal that the Zn doping in BFO can significantly enhance the built-in electric fields and greatly lower the Li+ migration energy barriers (from 2.08 eV to 1.43 eV). This flexible MnO2//Z-BFO-1 BSH device with the high energy density (37.5 Wh kg−1 at 0.23 kW kg−1), opens up a new avenue for developing high-performance electrochemical energy storage devices.