Mn-dopant induced Octahedral Configuration Strongly Stabilizes Ni12P5 Nanowires for Battery-Supercapacitor Hybrid Devices.

• Mn-doped Ni 12 P 5 nanowires are synthesized by a simple one-step hydrothermal method. • The Mn-Ni 12 P 5 has 808 C g−1 at 1 A g−1 and well cyclic stability. • The DFT reveals that the Mn-doping can help form an octahedral supporting structure to enhance the stability. [Display omitted] Transition metal phosphides (TMPs) have recently emerged as an important type of electrode materials for supercapacitors due to their intrinsically outstanding specific capacity and high conductivity. Herein, we report Mn doped Ni 12 P 5 nanowires (Mn-Ni 12 P 5 -3) as an advanced cathode material for hybrid supercapacitors, which delivers a high specific capacity of 808 C g−1 at 1 A g−1 (560 C g−1 at 10 A g−1) and good cyclic stability (capacity retention of 87% after 1000 cycles at 10 A g−1). Meanwhile, the First-principle Calculation results reveal that the Mn-doping can form an octahedral supporting structure between Mn atoms and P atoms to enhance the structure stability. The assembled Mn-Ni 12 P 5 -3//AC hybrid device demonstrates good capacity retention of 67.3% after 5000 cycles at 2 A g−1. This research brings a new implication to the development of supercapacitors. [ABSTRACT FROM AUTHOR]