MoS2@Ti3C2Tx Heterostructure: A new negative electrode material for Li-Ion hybrid supercapacitors

Lithium-ion hybrid supercapacitors (LHSCs) demonstrate promising electrochemical performance, including long cyclic stability and a high-power density. However, their limited energy density has restricted the development towards commercialization. In this work, a novel heterostructure (HS) has been introduced based on molybdenum disulfide (MoS2) nanosheets (NSs) anchored on the surface of exfoliated layers of titanium carbide (Ti3C2Tx) MXenes. The prepared negative electrode material named as MoS2@Ti3C2Tx-HS holds substantial promise for advancing LHSCs to enhance energy density. The MoS2@Ti3C2Tx-HS demonstrates outstanding pseudocapacitive performance in a three-electrode system by achieving a capacitance of 1022.7 F g(-1) at 1 A g(-1). It exhibited a stable cyclic life (5,000 cycles) and retained 97.02 % of its initial capacitance. Theoretical calculations based on density functional theory (DFT) show impressive results to support the experimental work. The calculated density of states (DOS), band structures, adsorption energies (E-ads), and diffusion energy demonstrate that MoS2@Ti3C2Tx-HS possesses excellent electronic and adsorption properties. The fabricated MoS2@Ti3C2Tx-HS//CP-LHSCs device shows a high capacitance of 153.75 F g(-1) at 2 A g(-1), with stable cyclic life (94.5 %) over 10,000 cycles. Furthermore, it shows a notable high energy density of 54.7 Wh kg(-1) at a power density of 1,601.3 W kg(-1). The prepared MoS2@Ti3C2Tx-HS electrode, with its synergistic combination, stands out as an auspicious material, showing remarkable electrochemical performance and paving the way for LHSCs.