Related papers: Defect Engineering of Two-dimensional Molybdenum D…
Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron…
The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…
Excellent gate electrostatics in field effect transistors (FETs) based on two-dimensional transition metal dichalcogenide (2D TMD) channels can dramatically decrease static power dissipation. Energy efficient FETs operate in enhancement…
Layered two-dimensional (2D) semiconducting transition metal dichalcogenides (TMD) have been widely isolated, synthesized, and characterized recently. Numerous 2D materials are identified as the potential candidates as channel materials for…
Transition metal dichalcogenides (TMDs) are layered materials which show excellent potential for nanoelectronic and optoelectronic applications. However, as many of the exciting features of these materials are controlled by the anharmonic…
Nanoscale tailoring of the optoelectronic response of 2D Transition Metal Dichalcogenides semiconductor layers (TMDs) has been achieved thanks to a novel strain engineering approach based on the grayscale thermal-Scanning Probe Lithography…
Predicting accurate band gaps and optical properties of lower-dimensional materials, including two-dimensional van der Waals (vdW) materials and their heterostructures, remains a challenge within density functional theory (DFT) due to their…
The presence of elemental vacancies in materials is inevitable according to statistical thermodynamics, which will decide the chemical and physical properties of the investigated system. However, the controlled manipulation of vacancies for…
Two-dimensional (2D) transition metal nitrides (TMNs) are new members in the 2D materials family with a wide range of applications. Particularly, highly crystalline and large area thin films of TMNs are potentially promising for…
Two-dimensional MoS2 is a crystalline semiconductor with high potential for numerous technologies. Research in recent years has sought to exploit the direct band gap and high carrier mobility properties of monolayer MoS2 for functional…
We report the fully-scalable fabrication of a large array of hybrid molybdenum disulfide (MoS$_2$) - silicon dioxide (SiO$_2$) one-dimensional, free-standing photonic-crystal cavities capable of enhancement of the MoS$_2$ photoluminescence…
Chalcogen vacancies in transition metal dichalcogenides are widely acknowledged as both donor dopants and as a source of disorder. The electronic structure of sulphur vacancies in MoS2 however is still controversial, with discrepancies in…
On-chip integration of 2D materials provides a promising route towards next-generation integrated optical devices with performance beyond existing limits. Here, significantly enhanced spectral broadening induced by self-phase modulation…
We present our study on atomic, electronic, magnetic and phonon properties of one dimensional honeycomb structure of molybdenum disulfide (MoS$_2$) using first-principles plane wave method. Calculated phonon frequencies of bare armchair…
Strain engineering is an important method for tuning the properties of semiconductors and has been used to improve the mobility of silicon transistors for several decades. Recently, theoretical studies have predicted that strain can also…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
Substitutionally-doped 2D transition metal dichalcogenides are primed for next-generation device applications such as field effect transistors (FET), sensors, and optoelectronic circuits. In this work, we demonstrate substitutional Rhenium…
Molecular linkers have emerged as an effective strategy to improve electronic transport properties on solution-processed layered materials via defect functionalization. However, a detailed discussion on the microscopic mechanisms behind the…
As one of the most important members of the two dimensional chalcogenide family, molybdenum disulphide (MoS2) has played a fundamental role in the advancement of low dimensional electronic, optoelectronic and piezoelectric designs. Here, we…
Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…