Related papers: Predicted Janus SnSSe monolayer: a comprehensive f…
Monolayers of transition-metal dichalcogenides (TMDs) hold great promise as future nanoelectronic and optoelectronic devices. An essential feature for achieving high device performance is the use of suitable supporting substrates, which can…
Transition metal monochalcogenides comprise a class of two-dimensional materials with electronic band gaps that are highly sensitive to material thickness and chemical composition. Here, we explore the tunability of the electronic…
In this paper, the electrical and spin properties of mono- and bilayer HfSSe in the presence of a vertical electric field are studied. The density functional theory is used to investigate their properties. Fifteen different stacking orders…
The prospects of scaling current photovoltaic technologies to terawatt levels remain uncertain. All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only oxide materials with suitable electronic and optical…
Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…
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 -…
A two dimensional (2D) Group-VI Te monolayer, tellurene, is predicted by using the first-principles calculations, which consists of planner four-membered and chair-like six-membered rings arranged alternately in a 2D lattice. The phonon…
Two-dimensional topological insulators and two-dimensional materials with ferroelastic characteristics are intriguing materials and many examples have been reported both experimentally and theoretically. Here, we present the combination of…
We theoretically predict that vanadium-based Janus dichalcogenide monolayers constitute an ideal platform for spin-orbit-torque memories. Using first principles calculations, we demonstrate that magnetic exchange and magnetic anisotropy…
Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that…
Semiconductor core$-$shell nanowires based on the GaAs substrate are building blocks of many photonic, photovoltaic and electronic devices, thanks to the associated direct band-gap and the highly tunable optoelectronic properties. The…
The rapid growth of the solar energy industry has produced a strong demand for high performance, efficient photoelectric materials. Many ferroelectrics, composed of earth-abundant elements, are useful for solar cell applications due to…
Two-dimensional transition metal dichalcogenides show great potential as promising thermoelectric materials due to their lower dimensionality, the unique density of states and quantum confinement of carriers. The effect of mechanical strain…
We present a comprehensive first-principles investigation of the structural stability, vibrational characteristics, and superconducting properties of the Janus Ti2CSH monolayer. Janus MXene (JMXene) materials, such as Ti2CSH, have attracted…
Two-dimensional (2D) Janus materials show great promise as piezoelectric materials and photocatalysts for water splitting. In this work, we systematically investigated the piezoelectric and photocatalytic properties of the hexagonal Janus…
We study the electromechanical response of Janus transition metal dichalcogenide (TMD) nanotubes from first principles. In particular, considering both armchair and zigzag variants of twenty-seven select Janus TMD nanotubes, we determine…
Phosphorene, a single atomic layer of black phosphorus, has recently emerged as a new twodimensional (2D) material that holds promise for electronic and photonic technology. Here we experimentally demonstrate that the electronic structure…
Unlike cubic GeSn, which requires a high Sn concentration to undergo an indirect-to-direct bandgap transition, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to…
Recently, monolayer SnS, a two-dimensional group IV monochalcogenide, was grown on a mica substrate at the micrometer-size scale by the simple physical vapor deposition (PVD), resulting in the successful demonstration of its in-plane room…
Two-dimensional Janus structures have garnered rapidly growing attention across multidisciplinary fields. However, despite extensive theoretical and experimental efforts, a principle for designing intrinsic Janus materials remains elusive.…