Synthesis and Theoretical Study of Conductive Mo1.33CT2 MXene

Abstract

In this work, Mo, Y, Al, and C were used as raw materials to synthesize a novel (Mo2/3Y1/3)2AlC MAX phase by spark plasma sintering (SPS) at 1550 ℃, and the corresponding accordion-like MXene was successfully obtained with a milder chemical etching method. The chemical composition and microstructure of the materials were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM) and energy dispersive spectrometer (DES). The final product was Mo1.33CT2 MXene with functional groups on the surface. At the same time, the electronic structure and electronic properties of the novel (Mo2/3Y1/3)2AlC MAX phase and the corresponding Mo1.33CT2 MXene were studied by the first-principles density functional theory. The calculated results show that all of them exhibit metallic properties, which are expected to be applied for energy storage, biosensors and electrocatalysis.