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We investigate the effects of embedded magnetic atoms on the edge states and spin-dependent transport properties of zigzag 6, 6, 12-graphyne nanoribbon (6, 6, 12-Z GYNRs) using non-equilibrium Greens functions combined with density-function theory. The results show that spin splitting occurs when doping magnetic atoms in the natural “holes” of the 6, 6, 12-Z GYNRs. Particularly, the half-metallicity...
The classical Kirchhoff's superposition law is hard to realize in the molecular scale devices because the coupling between the juxtaposed molecules can lead to constructive or destructive quantum interferences [Vazquez et al. nature nanotechnology 2012, 7, 663; Zhu et al. Phys. Rev. B 2014, 89, 085427]. In view of this, we try to eliminate the quantum interference between the juxtaposed molecules...
The electronic transport properties of zigzag 6, 6, 12-graphyne nanoribbons (6, 6, 12-Z GYNRs) are investigated by first-principles calculations. The results show that the two bands around the Fermi level of 4-6, 6, 12-ZGYNR are not flat but cambered, which is different from that of zigzag graphene and α-graphyne nanoribbons, and is also different from that of 5-6, 6, 12-ZGYNR. In non-magnetic states,...
A macroscopic carbon nanofiber (CNF)/alumina composite was synthesized by extrusion casting. Its textural and mechanical properties, crystallinity, surface acidity and thermal stability were investigated using N 2 physisorption, scanning electron microscopy, temperature programmed desorption of NH 3 (NH 3 -TPD), X-ray diffraction and thermal gravimetric (TG) analysis. It was...
A fishbone type carbon nanofiber (CNF) is functionalized by different chemical and thermal treatments, and characterized by TPD, FT-IR and XPS. TPD is proved to be an effective technique to characterize surface oxygen complexes on carbon nanofibers, a novel type of mesoporous and highly graphitic carbon material. TPD spectra are analyzed by a modified deconvolution method with a multiple Gaussian...
Catalytically grown carbon nanofibers, a novel mesoporous carbon material for catalysis, were synthesized by the decomposition of carbon-containing gases (CH 4 , C 2 H 4 or CO) over supported nickel-iron alloy and unsupported iron. It was shown that the structures of as-synthesized and modified CNFs, including the arrangement of the graphenes in CNF, and the crystallinity and...
Catalytically grown carbon nanofibers (CNFs) are shaped into pellets in desired size and configuration by a conventional molding process so as to extend the potential applications of CNFs in industrial heterogeneous catalysis. After shaping, a novel carbon nanofiber composite with sufficient mechanical strength is produced, in which isolated CNFs are connected by a carbon network formed through polymer...
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