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Carbon foam nanowires (CFNWs), which are mixed sp2/sp3 hybridized microporous one-dimensional structures, have received much attention in the past two decades. In the present work, first-principle and molecular dynamics (MD) calculations revealed that the surface states causes the metallicity of CFNWs with small size, which demonstrates a Dirac cone-like dispersion near Γ in the Brillouin zone, while...
Molecular spintronics is a new and emergent sub-area of spintronics that has the potential use in future information storage, magnetic sensing and quantum computing. We investigate the spin transport properties of a single benzene molecule connected to zigzag graphene nanoribbons (ZGNRs) by using a self-consistent ab initio approach which combines the non-equilibrium Green's function (NEGF) formalism...
By using nonequilibrium Green's functions in combination with the density functional theory, we investigate the transport properties of the supramolecular spin valves made of ferrocene and pristine (p-type or n-type) graphene nanoribbons. The results show that ferrocene adsorption on pristine graphene nanoribbons gives rise to perfect magnetoresistive effect. While for ferrocene adsorption on p-type...
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