Interface Mo-N coordination bonding MoSxNy @Polyaniline for stable structured supercapacitor electrode

The polyaniline bonding with nitrogen doped MoS2 (MoSxNy @PANI) was fabricated by hydrothermal vul-canization, nitrogen doping and electropolymerization process, which was designed as the stable struc-tured supercapacitor electrode. The interface bonding interaction between conductive PANI and conduc-tive MoSxNy is proposed to prove the feasibility of the coordination bond enforced hybrid electrode material by using experimental measurement and density functional theory simulation calculation. The MoSxNy involves an intermediate energy level to improve its electrical conductivity by lowering band gap from 1.45 to 0.65 eV. MoSxNy @PANI involves the interface Mo-N coordination bond between N atom of terminal amino group of PANI and the exposed Mo atom of MoSxNy. MoSxNy @PANI shows lower en-ergy barrier (5.07 eV) and lower interface energy (1.41 eV) than MoS2 @PANI (5.31 eV, 1.86 eV) due to interface Mo-N bonding, contributing to its highly improved structure stability. MoSxNy @PANI exhibits higher pseudocapacitive contribution (61.4%) than MoSxNy (47.4%) and MoS2 (41.9%), indicating the Mo -N coordination-induced activation of PANI. MoSxNy @PANI electrode achieves high specific capacitance of 577 F g -1 and impressive capacitance retention of 85.3% after 30 0 0 cycles even at high current density of 5 A g -1. Interface Mo-N coordination bonding MoSxNy @PANI with high electrochemical stability and capacitance performance exhibits the promising application as stable energy storage devices. (c) 2021 Elsevier Ltd. All rights reserved.

Automated summary

A stable structured supercapacitor electrode material MoSxNy @PANI was prepared and verified, showing improved structural stability and capacitance performance through interface Mo-N coordination bonding, with high specific capacitance and cycle stability, promising for stable energy storage devices.