Related papers: Lone pair driven anisotropy in antimony chalcogeni…
Vertical (-201) and (010) beta-Ga2O3 Schottky barrier diodes (SBDs) were fabricated on single-crystal substrates grown by edge-defined film-fed growth (EFG) method. High resolution X-ray diffraction (HRXRD) and atomic force microscopy (AFM)…
We present state-of-the-art first-principle calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-film solar cells. These new phases consist of distorted sp$^3$…
Small clusters of the As/Sb-S/Se system that is of importance for simulation of elementary structure units of chalcogenide glasses are calculated using DFT technique. Different structures of As2Xn- and Sb2Xn- (X=S,Se) with proper hydrogen…
Boron rich chalcogenides have been predicted to have excellent properties for optical and mechanical applications in recent times. In this regard, we report the electronic, optical and mechanical properties of recently synthesized boron…
Low-symmetry 2D materials---such as ReS$_2$ and ReSe$_2$ monolayers, black phosphorus monolayers, group-IV monochalcogenide monolayers, borophene, among others---have more complex atomistic structures than the honeycomb lattices of…
Monolayer SnS2 has emerged as a promising visible-light photocatalyst for photoelectrochemical applications, owing to its strong optical absorption in the visible range and excellent chemical stability. Despite its reduced dimensionality -…
Monolayer and few-layer phosphorene are anisotropic quasi-two-dimensional (quasi-2D) van der Waals (vdW) semiconductors with a linear-dichroic light-matter interaction and a widely-tunable direct-band gap in the infrared frequency range.…
Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer excitons. Recently synthesized atomically thin indium selenide…
Antimony sulfide (Sb2S3) is a promising candidate as an absorber layer for single-junction solar cells and the top subcell in tandem solar cells. However, the power conversion efficiency of Sb2S3-based solar cells has remained stagnant over…
Materials' microstructure strongly influences its performance and is thus a critical aspect in design of functional materials. Previous efforts on microstructure mediated design mostly assume isotropy, which is not ideal when material…
Two-dimensional (2D) van der Waals (vdW) materials with lower symmetry (triclinic, monoclinic or orthorhombic) exhibit intrinsic anisotropic in-plane structure desirable for future optoelectronic surface operating devices. Herein, we report…
Antiferromagnetic (AFM) FePS3 has gained significant interest recently for its potential applications in spin-related devices. A single layer is comprised of a honeycomb network, stabilized by long-range spin-exchange interactions, with a…
We report on density-functional-based tight-binding (DFTB) simulations of a series of amorphous arsenic sulfide models. In addition to the charged coordination defects previously proposed to exist in chalcogenide glasses, a novel defect…
Group IV and V monolayers are very crucial 2D materials for their high carrier mobilities, tunable band gaps, and optical linear dichroism. Very recently, a novel group IV-V binary compound, Sn2Bi, has been synthesized on silicon substrate,…
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on chalcogenide-based atomic chains derived from van der…
The recently discovered superconductivity in MgB2 has captured world attention due to its simple crystal structure and relatively high superconducting transition temperature Tc=39K. It appears to be generally accepted that it is…
Two-dimensional (2D) tin(II) sulfide (SnS) crystals belong to a class of orthorhombic semiconducting materials that are lately attracting significant interest, given their remarkable properties, such as in-plane anisotropic optical and…
New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics…
Transition metal dichalcogenide (TMD) materials have emerged as promising candidates for thin film solar cells due to their wide bandgap range across the visible wavelengths, high absorption coefficient and ease of integration with both…
Recently, two-dimensional (2D) materials with strong in-plane anisotropic properties such as black phosphorus have demonstrated great potential for developing new devices that can take advantage of its reduced lattice symmetry with…