Herein we report a prediction of a highly kinetic stable layered structure of tellurium (namely, bulk β-Te), which is similar to these layered bulk materials such as graphite, black phosphorus, and gray arsenic. Bulk β-Te turns out to be a semiconductor that has a band gap of 0.325 eV (HSE06: 0.605 eV), based on first-principles calculations. Moreover, the single-layer form of the bulk β-Te, called β-tellurene, is predicted to have a high stability. When the bulk β-Te is thinned to one atomic layer, an indirect semiconductor of band gap is changed to 1.265 eV (HSE06: 1.932 eV) with a very high kinetic stability. Interestingly, an increase of the number of the β-tellurene layers from one to three is accompanied by a shift from an indirect to direct band gap. Furthermore, the effective carrier masses, the optical properties and phonon modes of few-layer β-tellurenes are characterized. Few-layer β-tellurenes strongly absorb the ultraviolet and blue-violet visible lights. The dramatic changes in the electronic structure and excellent photo absorptivities are expected to
Monolayer two-dimensional phosphorus carbide (γ-PC) has been intensively studied as a promising anode material for lithium-ion batteries with first-principles calculations.
First-principles simulations demonstrate the anisotropic and high mobility in the new group monolayer IV-V semiconductors. The strain-engineered bandstructure reveals the conduction bands are sensitive to armchair-direction deformation. By applying strains, the electrical transportation in the armchair direction can be further improved or deteriorated. We use this important feature to achieve the tunable electron mobility in monolayer IV-V semiconductors. The controllable introduction of strain into semiconductors offers an important degree of flexibility in electrical transportation. Meanwhile, our works leads to a new approaches for research on mobility control in two-dimensional semiconductors. These will be useful for novel mechanical-electronic devices related to mobility switching.
A liquid crystalline elastomer (LCE) as a kind of stimuliresponsive materials, which can be fabricated to present the threedimensional (3D) change in shape, shows a wide range of applications. Herein, we propose a simple and robust way to prepare a 3D shape-change actuator based on gradient cross-linking of the vertically aligned monodomain of liquid crystals (LCs). First, gold nanoparticles grafted by liquid crystalline polymers (LCPs) are used to induce the homeotropic orientation of the LC monomer and cross-linkers. Then, photopolymerization under UV irradiation is carried out, which can result in the LCE film with a cross-link gradient. Different from the typical LCEs with homogenous alignment that usually show the shape change of extension/ contraction, the obtained vertically aligned LCE film exhibits excellent bendability under a thermal stimulus. The nanoindentation experiment demonstrates that the deformation of LCE films comes from the difference in Young's modulus on two sides of the thin film. Simply scissoring the thin film can prepare the samples with different bending angles under the fixed length. Moreover, using a photomask to pattern the film during photopolymerization can realize the complex 3D deformation, such as bend, fold, and buckling. Further, the patterned LCE film doped with multiwalled carbon nanotubes modified by LCPs (CNT-PDB) can act as a light-fueled microwalker with fast crawl behavior.
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