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    題名: Coupling of a carbon nanotube and graphene nanoribbon by titanium and vanadium chains: a first-principles study
    作者: 楊志開
    Lee,Chi-Hsuan;Yang,Chih-Kai
    貢獻者: 應物所
    日期: 2012
    上傳時間: 2014-09-23 10:28:04 (UTC+8)
    摘要: We find that the structure consisting of an armchair single-walled carbon nanotube deposited on a graphene nanoribbon is greatly strengthened by the further adsorption of titanium or vanadium chains. Density functional calculations show that the nanotube and nanoribbon are firmly “glued” together by the atomic chain introduced between them. The binding energy depends on the type of the atomic chain used, the stacked configuration, and the binding location. Band structures reveal strong hybridization between the 3d orbitals of the transition metals and 2p orbitals of the carbon atoms. For titanium adsorption at the ribbon center, the chain is non-magnetic while the ribbon remains antiferromagnetic. For adsorption at the edge, however, magnetism totally disappears at the coupling side. Magnetism for vanadium chain adsorption is even more complicated. The results point to a new way for synthesizing nanowires and possible application in robust nanoelectronic circuits.
    關聯: RSC Advances,2(26),9958-9963
    資料類型: article
    DOI 連結: http://dx.doi.org/10.1039/c2ra21097e
    DOI: 10.1039/c2ra21097e
    顯示於類別:[應用物理研究所 ] 期刊論文

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