نتایج جستجو برای: armchair
تعداد نتایج: 1353 فیلتر نتایج به سال:
magnesium oxide nanotubes of finite length are investigated by the density functional theory (dft) at the b3lyp/6-31g (d) level. the (6, 0) zigzag and (4, 4) armchair of mgo nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (csi and csa) were calculated for 25mg and 17o atoms of the optimized structures for the ...
We study edge states in AB-stacked bilayer graphene (BLG) ribbon where the Chern number of corresponding two-dimensional (2D) bulk Hamiltonian is zero. The existence and topological features when two layers ended with same or different terminations (zigzag, bearded, armchair) are discussed. (non-dispersive bands near Fermi level) localized at nanoribbon that only exists certain range momentum $...
Black phosphorus has been revisited recently as a new two-dimensional material showing potential applications in electronics and optoelectronics. Here we report the anisotropic in-plane thermal conductivity of suspended few-layer black phosphorus measured by micro-Raman spectroscopy. The armchair and zigzag thermal conductivities are ∼20 and ∼40 W m(-1) K(-1) for black phosphorus films thicker ...
Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2 0) surface and zigzag (1 0 1 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface,...
Applying two-dimensional monolayer materials in nanoelectronics and spintronics is hindered by a lack of ordered and separately distributed spin structures. We investigate the electronic and magnetic properties of one-dimensional zigzag and armchair 3d transition metal (TM) nanowires on graphyne (GY), using density functional theory plus Hubbard U (DFT + U). The 3d TM nanowires are formed on gr...
Graphene can be transformed from a semimetal into a semiconductor if it is confined into nanoribbons narrower than 10 nm with controlled crystallographic orientation and well-defined armchair edges. However, the scalable synthesis of nanoribbons with this precision directly on insulating or semiconducting substrates has not been possible. Here we demonstrate the synthesis of graphene nanoribbon...
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