DFT-study supported synergistic electrochemical supercapacitor performance of Bi2MoS6 nanosheets

Abstract

Synergistic electrochemical performance of the bismuth molybdenum sulphide (Bi2MoS6, BMS) nanosheets can be beneficial for fast ion exchange kinetics in electrolyte solution for energy storage performance. Bismuth sulphide (Bi2S3, BS), molybdenum sulphide (MoS2, MS), and BMS electrode materials of different morphologies are grown on stainless-steel (SS) conducting substrate using a wet chemical process. A 0 - 1 V operating potential window vs. Ag/AgCl has been utilized for half-cell analysis wherein, 947.4 F g- 1 specific capacitance is obtained for BMS nanosheet-like electrode at 0.6 Ag-1 current density with nearly 97 % stability which is better than BS and MS electrode materials. Full understanding of synergistic effect i.e., enhancement of electrochemical properties, has clearly been revealed by applying ab-initio theoretical calculations using density functional theory. The values of power density and energy density of the as-constructed symmetric supercapacitor device by using BMS electrode are respectively found to be 1130 Wkg- 1 and 85 Whkg- 1. A panel of forty-two LEDs coupled in series has been powered through symmetric device to demonstrating the practical application of the asprepared nanosheet-type BMS electrode material for commercial feasibility.