相关论文: Indirect doping effects from impurities in MoS$_2$…

Much effort has been made to modify the properties of transition metal dichalcogenide layers via their environment as a route to new functionalization. However, it remains a challenge to induce large electronic changes without chemically…

We investigate the native defects, the Mo substitutional impurities of the group-VB and -VIIB elements, and the S substitutional impurities of the group-VA and -VIIA elements in single-layer MoS2, through density-functional theory…

The objective of this work is to study the effects of charge redistribution, applied layer-normal electric fields, applied strain, and layer engineering on the band alignment of Black Phosphorus (BP)/Molybdenum disulphide (MoS2)…

Using a combination of th local-density approximtion (LDA) and dynamicla mean-field theory (DMFT) calculations, we explore the correlated electronic structure of a member of the layered Iron oxychalcogenide Na_{2}Fe_{2}OSe_{2}. We find that…

In this paper, we study band-to-band and intersubband characteristics of GaN/AlN heterostructures (planar and nanowires) structurally designed to absorb in the short-wavelength infrared region, particularly at 1.55 microns. We compare the…

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…

The effects of doping on the electronic evolution of the Mott insulating state have been extensively studied in efforts to understand mechanisms of emergent quantum phases of materials. The study of these effects becomes ever more…

Van der Waals single-layer materials are characterized by an inherent extremely low bending rigidity and therefore are prone to nanoscale structural modifications due to substrate interactions. Such interactions can induce excess charge…

The discovery of graphene has put the spotlight on other layered materials including transition metal dichalcogenites (TMD) as building blocks for novel heterostructures assembled from stacked atomic layers. Molybdenum disulfide, MoS2, a…

A large number of compounds which contain BiS$_{2}$ layers exhibit enhanced superconductivity upon electron doping. Much interest and research effort has been focused on BiS$_{2}$-based compounds which provide new opportunities for…

We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…

We study the effect of boron (B) and Phosphorous (P) co-doping on electronic and optical properties of graphitic carbon nitride (g-C$_3$N$_4$ or GCN) monolayer using density functional simulations. The energy band structure indicates that…

Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron…

The electrical and optoelectronic properties of transition-metal dichalcogenides (TMDs), such as MoS2, are highly dependent on carrier doping and layer thickness. The ability to selectively control these two critical characteristics is of…

Sliding of two-dimensional materials is critical for their application as solid lubricants for space, and also relevant for strain engineering and device fabrication. Dopants such as Ni surprisingly improve lubrication in MoS$_2$, despite…

We report the observation of electric-field-induced superconductivity on the surface of bulk polycrystalline MoS2 using electric double-layer doping. A gate voltage applied in an ionic liquid environment systematically increased carrier…

We study the effects of charged impurity scattering on the electronic transport properties of <110>-oriented Si nanowires in a gate-all-around geometry, where the impurity potential is screened by the gate, gate oxide and conduction band…

Bi$_2$Se$_3$ is one of the most promising topological insulators, but it suffers from intrinsic n-doping due to Se-vacancies, which shifts the Fermi level into the bulk conduction band, leading to topologically trivial carriers. Recently it…

Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…

Doping via electrostatic gating is a powerful and widely used technique to tune the electron densities in layered materials. The microscopic details of how these setups affect the layered material are, however, subtle and call for careful…