相关论文: Predicted Janus SnSSe monolayer: a comprehensive f…
Controlled variation of the electronic properties of 2D materials by applying strain has emerged as a promising way to design materials for customized applications. Using first principles density functional theory calculations, we show that…
Pyroelectricity is a very promising phenomenon in three- and two-dimensional (2D) materials, but first-principles calculations have not so far been used to elucidate the underlying mechanisms. Here we report density-functional theory (DFT)…
Semiconductor photocatalysis offers a sustainable route for converting solar energy into chemical energy, enabling the production of clean fuels and valuable chemical products. To this aim, we explore van der Waals heterostructures made up…
The combination of piezoelectricity with nontrivial topological insulating phase in two-dimensional (2D) systems, namely piezoelectric quantum spin Hall insulator (PQSHI), is intriguing for exploring novel topological states toward the…
Two dimensional transition metal dichalcogenides (TMDC) have very interesting properties for optoelectronic devices. In this work we theoretically investigate and predict that superlattices comprised of MoS$_{2}$ and WSe$_{2}$ multilayers…
The highly efficient photocatalytic water splitting to produce clean energy requires novel semiconductor materials to achieve high solar-to-hydrogen energy conversion efficiency. Herein, the photocatalytic properties of anisotropic…
Two-dimensional (2D) layered materials, transition metal dichalcogenides and black phosphorus, have attracted much interest from the viewpoints of fundamental physics and device applications. The establishment of new functionalities in…
Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…
NaSn2P2 is a recently discovered superconducting system belonging to a particular class of materials with van der Waals structure. There is enormous interest in such compounds because of their intriguing electrical, optical, chemical,…
Recently, the quantum anomalous Hall (QAH) insulators are predicted in Lithium-decorated iron-based superconductor monolayer materials (LiFeX (X=S, Se and Te)) with very high Curie temperature (\textcolor[rgb]{0.00,0.00,1.00}{PRL 125,…
Thermoelectric materials offer a promising route for efficient heat-to-power conversion. In search of materials functional at high and low operating temperatures, we investigate the thermoelectric properties of two-dimensional lead halide…
Thermoelectric materials based on earth-abundant and non-toxic elements are very useful in cost-effective and eco-friendly waste heat management systems. The constituents of SrGaSnH are earth-abundant and non-toxic, thus we have chosen…
Interest in hybrid electronic devices for quantum science is driving the research into superconductor-semiconductor materials combinations. Here we study InAs nanowires coated with shells of $\beta$-Sn. The wires grow via the…
The extraordinary properties and the novel applications of black phosphorene induce the research interest on the monolayer group-IV monochalcogenides. Here using the first-principles calculations, we systematically investigate the…
We investigate the orbital and spin Edelstein effect(OEE and SEE) in two-dimensional Janus transition metal dichalcogenides (TMDs) of the form MXX$^\prime$ $(M = Mo,\ W,\ Nb;\ X/X^\prime = S,\ Se,\ Te)$ with the aid of density functional…
Recently, an atomic-scale two-dimensional silicon carbide monolayer has been synthesized {[}Polley \emph{et al., }Phys. Rev. Lett. \textbf{130},076203 (2023){]} which opens up new possibilities for developing next-generation electronic and…
Janus monolayer transition metal dichalcogenides, where one of the two chalcogen layers is substituted with a different kind of chalcogen atoms, are pushing the properties of two dimensional materials into new territories. Yet only little…
The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers:…
Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed electronics. In this work, based on first principles calculations…
Two-dimensional (2D) tin(II) monosulfide (SnS) with strong structural anisotropy has been proven to be a phosphorene analogue. However, difficulty in isolating very thin layer of SnS pose challenges in practical utilization. Here, we…