نتایج جستجو برای: phosphorene
تعداد نتایج: 631 فیلتر نتایج به سال:
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their nonplanar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we assign atoms in "top" positions to dark tiles and atoms in "bottom" positions to light tiles. Optimum sp3 bonding is maintained throughout the structure when ...
Electronic and optical properties of 2D models of graphene, boron nitride (BN), silicene, SiC, and phosphorene functionalized with pyrazinamide (PZA), a front line antitubercular chemotherapeutic, are investigated using cluster models and density functional theory with van der Waals dispersion corrections and including solvent effects. PZA favors covalent functionalization onto silicene and SiC...
Bilayer phosphorene attracted considerable interest, giving a potential application in nanoelectronics owing to its natural bandgap and high carrier mobility. However, very little is known regarding the possible usefulness in spintronics as a quantum spin Hall (QSH) state of material characterized by a bulk energy gap and gapless spin-filtered edge states. Here, we report a strain-induced topol...
The two-dimensional material phosphorene has become a focus of the scientific community recently. On the basis of molecular dynamics simulations, we utilize phosphorene as a model material to study the behavior of water molecules confined by two phosphorene plates with nonflat surfaces. As the relative position of the two plates changes, the water molecules first stay in a melting process at 23...
2D transition metal dichalcogenides (TMDs) have attracted a lot of attention recently for energy-efficient tunneling-field-effect transistor (TFET) applications due to their excellent gate control resulting from their atomically thin dimensions. However, most TMDs have bandgaps (Eg) and effective masses (m(*)) outside the optimum range needed for high performance. It is shown here that the newl...
Exfoliation of two-dimensional phosphorene from bulk black phosphorous through chemical means is demonstrated where the solvent system of choice (choline chloride urea diluted with ethanol) has the ability to successfully exfoliate large-area multi-layer phosphorene sheets and further protect the flakes from ambient degradation. The intercalant solvent molecules, aided by low-powered sonication...
Phosphorene, a monolayer of black phosphorus, is promising for nanoelectronic applications not only because it is a natural p-type semiconductor but also because it possesses a layer-number-dependent direct bandgap (in the range of 0.3 to 1.5 eV). On basis of the density functional theory calculations, we investigate electronic properties of the bilayer phosphorene with different stacking order...
Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the dens...
Despite the unique properties of black phosphorus (BP) and phosphorene, including high carrier mobility and in-plane anisotropy, their stability has been hampered by significant crystal deterioration upon exposure to oxygen and water. Herein, we investigate the chemical stability of MoS2-passivated black phosphorus (BP) or bilayer (2L) phosphorene van der Waals (vdW) heterostructures using the ...
Buckled atomic sheets such as phosphorene and silicene promise interesting anisotropic phenomena and strongly coupled multi-physics. Experimental properties and ageing effect are among the biggest topics. Here, we report key results of critical importance for device studies and understanding including phosphorene devices featuring: i) record mobility (μ) ~1560cm2/V.s about an order of magnitude...
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