First step to investigate nature of electronic states and transport in flower-like MoS2: Combining experimental studies with computational calculations

Abstract

In the present paper, the nature of electronic states and transport properties of nanostructured flower-like molybdenum disulphide grown by hydrothermal route has been studied. The band structure, electronic nature of charge, thermodynamics and the limit of phonon scattering through density functional theory (DFT) has also been studied. The band tail states, dynamics of trap states and transport of carriers was investigated through intensive impedance spectroscopy analysis. The direct fingerprint of density and band tail state is analyzed from the capacitance plot as capacitance reflects the capability of a semiconductor to accept or release the charge carriers with a corresponding change in its Fermi potential levels. A recently introduced infrared photo-carrier radiometry and density functional perturbation theory (DFPT) techniques have been used to determine the temperature dependence of carrier mobility in flower type-MoS2. The present study illustrates that a large amount of trapped charges leads to an underestimation of the measured effective mobility and the potential of the material. Thus, a continuous engineering effort is required to improve the quality of fabricated nanostructures for its potential applications.

Directly Assembled 3D Molybdenum Disulfide on Silicon Wafer for Efficient Photoelectrochemical Water Reduction

“…The θ‐ and λ‐dependent R of both the samples are smaller than that of the pristine TiO 2 /p‐type Si because of a gradient refractive index, 2.545/2.64/5.6 . The refractive index of the 3D MoS 2 structures covering 50% of the TiO 2 /p‐Si area was estimated to 2.545, considering the refractive index of the MoS 2 in parallel direction and areal density . More importantly, in the 3D MoS 2 /TiO 2 /p‐Si photocathode, the variation of R in both R versus θ and R versus λ is negligible, indicating that the 3D MoS 2 film has omnidirectional and broadband antireflective properties for p‐Si, presumably because of the size effect below the diffraction limit…”

“…The absorption spectra and optical reflectance data of different MoS 2 growth time were summarized in Figure S6 (Supporting Information). [35,36] More importantly, in the 3D MoS 2 /TiO 2 /p-Si photocathode, the variation of R in both R versus θ and R versus λ is negligible, indicating that the 3D MoS 2 film has omnidirectional and broadband antireflective properties for p-Si, presumably because of the size effect below the diffraction limit. Furthermore, the dramatic reduction of reflectance with the 15 min grown 3D MoS 2 /TiO 2 /p-Si substrate is observed.…”

Two-dimensional boron monochalcogenide monolayer for thermoelectric material

“…[9][10][11][12][13] There are various crystal structures of different materials that provide good thermoelectric performance, such as Half-Heusler compounds, 14 clathrates, 15 skutterudites, 16 perovskites, 17 antiperovskite, 18 some oxide materials 19,20 and chalcogenides. 21,22 The elements of group 16 (O, S, Se, Te) are known as chalcogens. Materials that contain at least one chalcogen atom are known as chalcogenide materials.…”

Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal–semiconductor hybrid 2D materials

“…1 2D semiconducting materials such as transition metal dichalcogenides (TMDs), metal chalcogenides (e.g., MoS 2 , WS 2 ), hexagonal boron nitrides (h-BNs), and metal oxides have garnered massive interest in experimental studies as well as theoretical studies due to their unique physical and chemical properties. [2][3][4][5][6][7][8] The challenges mentioned above can be easily handled with the band engineering of these semiconductors to develop catalysts with high photocatalysis performance. 9 The possibilities to explore the recent advances in van der Waals (vdW) solids of atomic layers that form vertical quantum heterojunctions with interfaces between different 2D materials.…”