相关论文: Pristine and Doped MoS2 Monolayers as Potential HC…
The adsorption equilibrium constants of monovalent and divalent cations to material surfaces in aqueous media are central to many technological, natural, and geochemical processes. Cation adsorption/desorption is often proposed to occur in…
Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…
Exceptionally high energy density by mass, natural abundance, widespread applications, and environmental friendliness make hydrogen (H2) a front-runner among clean energy options. However, the transition toward clean and renewable energy…
Two-Dimensional (2D) transition metal dichalcogenides (TMDs) have been the subject of extensive attention thanks to their unique properties and atomically thin structure. Because of its unprecedented room-temperature magnetic properties,…
Due to their atomic layer thickness, direct bandgap, mechanical robustness and other superior properties, transition metal dichalcogenides (TMDCs) monolayers are considered as an attractive alternative to graphene for diverse optoelectronic…
Monolayer transition metal dichalcogenides are novel, gapped two-dimensional materials. Toward device applications, we consider MoS$_2$ layers on dielectrics, in particular in this work, the effect of vacancies on the electronic structure.…
Monolayer and multilayer MoS$_2$ are extremely fascinating materials for the use in lasers, compact optical parametric amplifiers, and high-power detectors which demands high excitation light-matter interaction. Consequently, it is…
Mono- and few-layer transition-metal dichalcogenides (TMDCs) provide opportunities for ideal two-dimensional semiconductors for electronic and optoelectronic devices. For electronic devices on TMDCs, it is essential to incorporate n- and/or…
Recently, avalanche multiplication has been observed in TMDC-based FETs, enhancing sensor performance with high sensitivity. However, the high voltage required for operation can damage the FETs, making it crucial to reduce the breakdown…
Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…
At the few-atom-thick limit, transition metal dichalcogenides (TMDs) exhibit a host of attractive electronic optical, and structural properties. The possibility to pattern these properties has a great impact on applied and fundamental…
Two-dimensional molybdenum disulfide (MoS$_2$) featuring atomically thin thickness and unique electronic structure with favorable bandgap has been widely recognized as an attractive new material for the development of the next generation of…
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
Using first-principles calculations based on density-functional theory, we investigated the adsorption of pentacene molecules on monolayer two-dimensional transition metal dichalcogenides (TMD). We considered the four most popular TMDs,…
Conduction band-edge spin-orbit splitting (SOS) in monolayer transition metal dichalcogenides determines a competition between bright and dark excitons and sets conditions for spintronics applications of these semiconductors. Here, we…
In this work, we investigated the electronic structure and the quantum capacitance of the functionalized MoS$_2$ monolayer. The functionalizations have been done by using different ad-atom adsorption on Mo$S_2$ monolayer. Density functional…
High quality electrical contact to semiconducting transition metal dichalcogenides (TMDCs) such as $MoS_2$ is key to unlocking their unique electronic and optoelectronic properties for fundamental research and device applications. Despite…
We study the effect of one-dimensional (1D) photonic crystal heterojunction (h-PhC) on the light absorption and light emission of monolayer molybdenum disulfide (MoS$_{2}$), and obtained the analytical solution of the light absorption and…
Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…
The concept of alloy engineering has emerged as a viable technique towards tuning the bandgap as well as engineering the defect levels in two-dimensional transition metal dichalcognides (TMDC). Possibility to synthesize these ultrathin TMDC…