Layered two-dimensional (2D) semiconductors, such as MoS(2) and SnS(2), have been receiving intensive attention due to their technological importance for the next-generation electronic/photonic applications. We report a novel approach to the controlled synthesis of thin crystal arrays of SnS(2) at predefined locations on chip by chemical vapor deposition with seed engineering and have demonstrated their application as fast photodetectors with photocurrent response time ∼ 5 μs. This opens a pathway for the large-scale production of layered 2D semiconductor devices, important for applications in integrated nanoelectronic/photonic systems.

We use cellular dynamical mean field theory with the continuous-time quantum Monte Carlo solver to study the Kane-Mele-Hubbard model supplemented with an additional third-neighbor hopping term. For weak interactions, the third-neighbor hopping term drives a topological phase transition between a topological insulator and a trivial insulator, consistent with previous fermion sign-free quantum Monte Carlo results [H.-Hung et al. Phys. Rev. B 89, 235104 (2014)]. At finite temperatures, the Dirac cones of the zero temperature topological phase boundary give rise to a metallic regime of finite width in the third-neighbor hopping. Furthermore, we extend the range of interactions into the strong coupling regime and find an easy-plane anti-ferromagnetic insulating state across a wide range of third-neighbor hopping at zero temperature. In contrast to the weak coupling regime, no topological phase transition occurs at strong coupling, and the ground state is a trivial anti-ferromagnetic insulating state. A comprehensive finite temperature phase diagram in the interaction-third-neighbor hopping plane is provided.

We have investigated the effect of solvation and confinement on an artificial photosynthetic material, carotenoid-porphyrin-C(60) molecular triad, by a multiscale approach and an enhanced sampling technique. We have developed a combined approach of quantum chemistry, statistical physics, and all-atomistic molecular dynamics simulation to determine the partial atomic charges of the ground-state triad. To fully explore the free energy landscape of triad, the replica exchange method was applied to enhance the sampling efficiency of the simulations. The confinement effects on the triad were modeled by imposing three sizes of spherocylindrical nanocapsules. The triad is structurally flexible under ambient conditions, and its conformation distribution is manipulated by the choice of water models and confinement. Two types of water models (SPC/E and TIP3P) are used for solvation. When solvated by SPC/E water, whose HOH angle follows an ideal tetrahedron, the structural characteristics of triad is compact in the bulk systems. However, under a certain nanosized confinement that drastically disrupts hydrogen bond networks in solvent, the triad favors an extended configuration. By contrast, the triad solvated by TIP3P water shows a set of U-shaped conformations in the confinement. We have shown that a slight structural difference in the two water models with the same dipole moment can have great distinction in water density, water orientation, and the number of hydrogen bonds in the proximity of a large flexible compound such as the triad. Subsequently, it has direct impact on the position of the triad in a confinement as well as the distribution of conformations at the interface of liquid and solid in a finite-size system.

Layered materials with a non-zero band gap have emerged in the past few years because of their potential to supersede graphene in nano-electronics. Zirconium nitrogen halides (ZrNX, X ¼ Cl,Br) are indirect gap semiconductors with a layered crystal structure. Here, we report the realization of electric field effects in exfoliated nano-crystals of b-ZrNBr using degenerately doped silicon as a back-gate. The as-produced devices demonstrate n-type transport with field effect carrier mobility of 5.8 cm 2 V À1 s À1 . The conduction is dominated by variable range hopping for the range of temperature from 295 K to 32 K. Our results present a promising candidate for future thin-film electronics application. V C 2013 AIP Publishing LLC. [http://dx.

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