We report the fast growth of high-quality millimeter-size monolayer MoSe crystals on molten glass using an ambient pressure CVD system. We found that the isotropic surface of molten glass suppresses nucleation events and greatly improves the growth of large crystalline domains. Triangular monolayer MoSe crystals with sizes reaching ∼2.5 mm, and with a room-temperature carrier mobility up to ∼95 cm/(V·s), can be synthesized in 5 min. The method can also be used to synthesize millimeter-size monolayer MoS crystals. Our results demonstrate that "liquid-state" glass is a highly promising substrate for the low-cost growth of high-quality large-size 2D transition metal dichalcogenides (TMDs).

The InSe-family monolayers exhibit high electron mobility, small exciton binding energy, and distinguished optical responses under visible-light irradiation.

The idea of forming van der Waals (vdW) heterostructures by integrating various two-dimensional materials breaks the limitation of the restricted properties of single material systems. In this work, the electronic structure modulation, stability, entire stress response and the Li adsorption properties of heterostructures by combining blue phosphorene (BlueP) and MS2 (M = Nb, Ta) together were systematically investigated using first-principles calculations based on vdW corrected density functional theory. We revealed that BlueP/MS2 vdW heterostructures possess good structural stability with negative formation energy, enhanced electrical conductivity, improved mechanical flexibility (ultimate strain >17%) and high-capacity (528.257 mAhg(-1) for BlueP/NbS2). The results suggest that BlueP/NbS2 and BlueP/TaS2 heterostructures are ideal candidates used as promising flexible electrode for high recycling rate and portable lithium-ion batteries, which satisfy the requirement of next-generation flexible energy storage and conversion devices.

As a fast emerging topic, van der Waals (vdW) heterostructures have been proposed to modify two-dimensional layered materials with desired properties, thus greatly extending the applications of these materials. In this work, the stacking characteristics, electronic structures, band edge alignments, charge density distributions and optical properties of blue phosphorene/transition metal dichalcogenides (BlueP/TMDs) vdW heterostructures were systematically studied based on vdW corrected density functional theory. Interestingly, the valence band maximum and conduction band minimum are located in different parts of BlueP/MoSe2, BlueP/WS2 and BlueP/WSe2 heterostructures. The MoSe2, WS2 or WSe2 layer can be used as the electron donor and the BlueP layer can be used as the electron acceptor. We further found that the optical properties under visible-light irradiation of BlueP/TMDs vdW heterostructures are significantly improved. In particular, the predicted upper limit energy conversion efficiencies of BlueP/MoS2 and BlueP/MoSe2 heterostructures reach as large as 1.16% and 0.98%, respectively, suggesting their potential applications in efficient thin-film solar cells and optoelectronic devices.

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An inductively coupled plasma (ICP) process was used to synthesize transition metal dichalcogenides (TMDs) through a plasma-assisted selenization process of metal oxide (MO x ) at a temperature as low as 250 °C. In comparison with other CVD processes, the use of ICP facilitates the decomposition of the precursors at low temperatures. Therefore, the temperature required for the formation of TMDs can be drastically reduced. WSe 2 was chosen as a model material system due to its technological importance as a p-type inorganic semiconductor with an excellent hole mobility. Large-area synthesis of WSe 2 on polyimide (30 × 40 cm 2 ) flexible substrates and 8 in. silicon wafers with good uniformity was demonstrated at the formation temperature of 250 °C confirmed by Raman and X-ray photoelectron (XPS) spectroscopy. Furthermore, by controlling different H 2 /N 2 ratios, hybrid WO x /WSe 2 films can be formed at the formation temperature of 250 °C confirmed by TEM and XPS. Remarkably, hybrid films composed of partially reduced WO x and small domains of WSe 2 with a thickness of ∼5 nm show a sensitivity of 20% at 25 ppb at room temperature, and an estimated detection limit of 0.3 ppb with a S/N > 10 for the potential development of a low-cost plastic/wearable sensor with high sensitivity.

Artificial monolayer black phosphorus, so-called phosphorene, has attracted global interest with its distinguished anisotropic, optoelectronic, and electronic properties. Here, we unraveled the shear-induced direct-to-indirect gap transition and anisotropy diminution in phosphorene based on first-principles calculations. Lattice dynamic analysis demonstrates that phosphorene can sustain up to 10% applied shear strain. The bandgap of phosphorene experiences a direct-to- indirect transition when 5% shear strain is applied. The electronic origin of the direct-to-indirect gap transition from 1.54 eV at ambient conditions to 1.22 eV at 10% shear strain for phosphorene is explored. In addition, the anisotropy diminution in phosphorene is discussed by calculating the maximum sound velocities, effective mass, and decomposed charge density, which signals the undesired shear-induced direct-to-indirect gap transition in applications of phosphorene for electronics and optoelectronics. On the other hand, the shear-induced electronic anisotropy properties suggest that phosphorene can be applied as the switcher in nanoelectronic applications.

In this work, we introduce a series of two dimensional (2D) group IV chalcogenides (AX)2 with the building block X-A-A-X (A = Si, Ge, Sn, and Pb, and X = Se and Te) on the basis of ab initio calculations. The analysis of energy evaluation, lattice vibration as well as the chemical bonding demonstrate the good stability of these 2D materials. Furthermore, the pictures for the chemical bonding and electronic features of the 2D (AX)2 are drawn. Their narrow gapped semiconducting nature is unraveled. Especially, strong interactions between the electrons and phonons as well as the topological insulating nature in (SiTe)2 are observed. The present results indicate that such remarkable artificial 2D (AX)2 are building blocks for van der Waals heterostructure engineering, which shows potential applications in nanoscaled electronics and optoelectronics.