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Excellent physical properties in one-dimensional layered elemental semiconductors

Elemental two-dimensional materials, such as graphene and black phosphorus, possess remarkable physicochemical properties and are considered promising candidates for the core functional components of future electronic and optoelectronic devices. Among them, a small amount of black phosphorus is the first elemental two-dimensional semiconductor with unique characteristics. However, its poor stability in air makes it prone to degradation due to oxidation during material synthesis, device fabrication, and exposure to harsh environments. As a result, there is an urgent need to develop a single-layer two-dimensional semiconductor that not only exhibits excellent physical and chemical properties but also maintains good air stability and can be easily prepared. In a recent study published in *Science Bulletin*, Prof. Ji Wei from Renmin University of China and Prof. Chai Yang from Hong Kong Polytechnic University introduced a novel elemental two-dimensional semiconductor: few-layer tellurium. The research systematically investigated its electrical, mechanical, and optical properties. Through first-principles calculations, they analyzed the structural stability of three-layer tantalum and confirmed that the α-phase layer is the most stable configuration across different thicknesses. They discovered a covalent-like quasi-bonding between layers, which resembles similar interlayer bonding found in black phosphorus and transition metal dichalcogenides. This unique bonding leads to a variety of remarkable physical properties in few-layer bismuth. Theoretical predictions suggest that this material has a tunable band gap ranging from 0.31 eV (in bulk form) to 1.17 eV (in double-layer form), along with an unusually high hole mobility of up to 105 cm²/Vs in the non-covalent direction—about one to two orders of magnitude higher than that of black phosphorus. It also exhibits a Mexican hat-type valence band structure and a distinct evolution of the conduction band bottom and valence band top when transitioning from the monolayer to the bulk phase. Additionally, the material demonstrates strong light absorption in the near-infrared and visible range, with a single-layer absorption of up to ~9%, and superior air stability compared to black phosphorus. Importantly, few-layer tellurium can be synthesized through solution chemistry, offering advantages such as simplicity, speed, low cost, and scalability. Figure 1 shows the structural diagram and stability comparison of few-layer elemental allotropes. (a) The most stable crystal structure of the α-phase tellurium. (b)-(d) Top and side views of the 2-layer α-phase. (e)-(f) Top and side views of the 2-layer β-phase. (g)-(h) Top and side views of the 2-layer γ-phase. (i)-(j) Enthalpy of α, β, and γ phases as a function of layer number. (k)-(l) Lattice constants, binding energy, and layer spacing of the α-phase. Figure 2 presents the electronic band structure of few-layer α-phase tellurium. (a)-(b) Schematic of the Brillouin zone for bulk and α-phase. (c)-(d) Band structures of bulk and 2-layer α-phase. (e)-(l) Energy diagrams of the lowest conduction band and highest valence band for 2, 4, 6 layers, and bulk α-phase. Figure 3 illustrates the interlayer interaction in few-layer α-phase tellurium. (a)-(b) Band gap and energy of conduction band bottom/valence band top as a function of layer number. (c)-(f) Differential charge density of double-helical atomic chains and 2-layer α-phase. (g)-(i) Spatial distribution of the wave function of the 2-layer α-phase near the valence band bond state and anti-bond state.

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