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Toplam kayıt 4, listelenen: 1-4
The influence of vacancy-induced local strain on the transport properties in armchair and zigzag graphene nanoribbons
(Iop Publishing Ltd, 2019)
We investigate the transport properties of defected graphene nanoribbons with single C vacancy using non-equilibrium Green's function formalism within the tight-binding model approach. the insights derived from the analysis ...
First-principles study of coupled effect of ripplocations and S-vacancies in MoS2
(Amer Inst Physics, 2019)
Recent experiments have revealed ripplocations, atomic-scale ripplelike defects on samples of MoS2 flakes. We use quantum mechanical calculations based on density functional theory to study the effect of ripplocations on ...
Magnetic properties of the spin-5/2 Blume-Capel chain in a magnetic field
(Elsevier, 2019)
The magnetization plateaus and thermodynamic properties of the antiferromagnetic spin-5/2 chain system were studied by using Blume-Capel model. the system with crystal field interaction in the presence of an external ...
Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold and gold-silver surfaces
(2019)
A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional theory (DFT) calculations with an atomistic thermodynamic model is performed. The (111) and (211) facets of gold and ...