相关论文: Ab initio study of bilateral doping within the MoS…
Doping is an effective way to modify the electronic property of two-dimensional (2D) materials and endow them with new functionalities. However, wide-range control of the substitutional doping concentration with large scale uniformity…
Mirror twin boundary (MTB) brings unique 1D physics and properties into two-dimensional transition metal dichalcogenides (TMDCs), but they were rarely observed in non-Mo-based TMDCs. Herein, by post-growth Nb doping, high density 4|4E-W and…
Doping plays a key role in functionalizing semiconductor devices, yet traditional chemical approaches relying on foreign-atom incorporation suffer from doping-asymmetry, pronounced lattice disorder and constrained spatial resolution. Here,…
In this paper, we studied the structural and electronic properties of MoSe$_2$ monolayer in its pure and doped forms, using the density functional theory (DFT), and the calculations were performed using Quantum Espresso (QE) software…
Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel…
Molybdenum disulfide (MoS$_2$) attracts attention as a high efficient and low cost photocatalyst for hydrogen production, but suffers from low conductance and high recombination rate of photo-generated charge carriers. In this work, we…
We investigate the superconducting properties of molybdenum disulphide (MoS$_2$) monolayer across a broad doping range, successfully recreating the so far unresolved superconducting dome. Our first-principles findings reveal several…
Molybdenum disulfide (MoS$_2$) nanosheet is a two-dimensional material with high electron mobility and with high potential for applications in catalysis and electronics. We synthesized MoS$_2$ nanosheets using a one-pot wet-chemical…
Structural defects in the molybdenum disulfide (MoS2) monolayer are widely known for strongly altering its properties. Therefore, a deep understanding of these structural defects and how they affect MoS2 electronic properties is of…
Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…
Doping in two-dimensional materials has emerged as an effective tool for modulating their electronic properties and thereby enabling their multifunctional applications. In this work, we present a first-principles study on induced effective…
We study the effect of electron doping on the bonding character and stability of two-dimensional (2D) structures of elemental boron, called borophene, which is known to form many stable allotropes. Our {\em ab initio} calculations for the…
We present a device scheme to explore mesoscopic transport through molybdenum disulfide (MoS$_2$) constrictions using photodoping. The devices are based on van-der-Waals heterostructures where few-layer MoS$_2$ flakes are partially…
MoS2 nanostructures are promising catalysts for proton-exchange-membrane (PEM) electrolyzers to replace expensive noble metals. Their broadscale application demands high activity for the hydrogen evolution reaction (HER) as well as robust…
We report on the first demonstration of p-type doping in large area few-layer films of (0001)-oriented chemical vapor deposited (CVD) MoS2. Niobium was found to act as an efficient acceptor up to relatively high density in MoS2 films. For a…
The phenomenon of a partial 2H\rightarrow1T phase transition within multiwalled WS2 nanotubes under substitutional Rhenium doping is discovered by means of high-resolution transmission electron microscopy. Using density-functional…
We investigate the electronic structure of nickelate superconductor NdNiO2 upon hole doping, by means of density-functional theory and dynamical mean-field theory. We demonstrate the strong intrinsic hybridization between strongly…
Electrostatic doping into an $n$-type Mott insulator Sm$_{2}$CuO$_{4}$ has been successfully achieved with use of the heterojunction with an $n$-type band semiconductor Nb-doped SrTiO$_{3}$. The junction exhibits rectifying current-voltage…
Double perovskite, (Sr1-xNdx)2FeMoO6, was doped with electrons through partial substitution of divalent Sr by trivalent Nd (0 < x < 0.2). The Fe valence and the degree of B-site order were probed by 57Fe Mossbauer spectroscopy. Replacing Sr…
We investigate the thermodynamic and transport properties of molybdenum-doped BaFe2As2 (122) crystals, the first report of hole doping using a 4d element. The chemical substitution of Mo in place of Fe is possible up to ~ 7%. For…