Construction of Nickel Molybdenum Sulfide/Black Phosphorous 3D Hierarchical Structure Toward High Performance Supercapacitor Electrodes

Abstract Supercapacitors (SCs) with outstanding versatility have a lot of potential applications in next‐generation electronics. However, their practical uses are limited by their short working potential window and ultralow‐specific capacity. Herein, the facile one‐step in‐situ hydrothermal synthesis is employed for the construction of a NiMo 3 S 4 /BP (black phosphorous) hybrid with a 3D hierarchical structure. After optimization, the NiMo 3 S 4 /BP hybrid displays a high specific capacitance of 830 F/g at 1 A/g compared to the pristine NiMo 3 S 4 electrode. The fabricated NiMo 3 S 4 /BP//NiCo 2 S 4 /Ti 3 C 2 Tx asymmetric supercapacitor exhibits a better specific capacitance of 120 F/g at 0.5 A/g, which also demonstrates a high energy density of 54 Wh/kg at 1148.53 W/kg and good cycle stability with capacity retention of 86% and 97% of Coulombic efficiency after 6000 cycles. Further from the DFT simulations, the hybrid NiMo 3 S 4 /BP structure shows higher conductivity and quantum capacitance, which demonstrate greater charge storage capability, due to enhanced electronic states near the Fermi level. The lower diffusion energy barrier for the electrolyte K + ions in the hybrid structure is facilitated by improved charge transfer performance for the hybrid NiMo 3 S 4 /BP. This work highlights the potential significance of hybrid nanoarchitectonics and compositional tunability as an emerging method for improving the charge storage capabilities of active electrodes.