Multi-layers Hexagonal Hole MXene Trap Constructed by Carbon Vacancy Defect Regulation Strategy Enables High Energy Density Potassium-Ions Storage

Due to the slow reaction kinetics of potassium-ions with large size radius in layered materials, the energy density of aqueous potassium-ion hybrid supercapacitors (PIHCs) is severely limited. At the same time, the treatment of defects is a "double-edged sword" in energy storage materials, which requires targeted and precise regulation. In order to solve this problem, multi-layers hexagonal hole MXene trap was constructed by using the carbon vacancy defect regulation strategy, and high specific capacitance and energy density potassium-ion storage was realized in PIHCs. The structure-activity relationship at the atomic level was elucidated in combination with the pseudo-capacitance effect caused by the change of valency of newly exposed titanium atoms in the inner wall of the hexagonal hole MXene trap. By density functional theory, the adsorption energy and kinetic analysis of multi-layers hexagonal hole MXene for potassium-ions were calculated, and the optimal position and quantity of potassium-ions were determined. By quantitative analysis of electron band structure and differential charge density, the internal mechanism of high conductivity and energy density of multi-layers hexagonal hole MXene PIHCs was revealed.