Defect functionalized morphological, structural, and optical properties of MnS incorporated MoS2 heterostructure: Experimental and theoretical insight

The low-cost hydrothermal method has been successfully applied to synthesize MnS-incorporated MoS₂ nanoflowers (MoS₂/MnS). The FE-SEM, TEM, XRD, Raman, UV-VIS, and density functional theory (DFT) were used to investigate the surface morphology, structural property, optical property, and simulated optical and dielectric properties. FE-SEM and TEM images reveal the 3D flower-like structure of MoS₂ and the flower-like structure of the nanocomposite. The X-ray diffraction structural analysis confirmed the presence of lattice strain, causing an increase in interlayer spacing. The Raman spectra of MoS₂/MnS demonstrated that the injection of MnS nanoparticles caused interfacial interaction between the MoS₂ and MnS interfaces, resulting in n-type doping in the nanocomposites. The optical study was conducted using UV-Vis spectroscopy, which found that the inclusion of MnS nanoparticles decreased the band gap from 1.68 eV to 1.54 eV. According to the DFT study, the nanocomposite red-shifted enhanced absorption spectra and absorbed visible and infrared light. This work will provide insight into the fabrication of MoS₂/MnS nanocomposite with a variety of applications.