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    Please use this identifier to cite or link to this item: http://nccur.lib.nccu.edu.tw/handle/140.119/70147

    Title: Noncovalent functionalization of carbon nanotubes by aromatic organic molecules
    Authors: 楊志開
    Contributors: 應物所
    Date: 2003.05
    Issue Date: 2014-09-25 11:47:44 (UTC+8)
    Abstract: The interaction between carbon nanotubes and organic molecules including benzene (C6H6), cyclohexane (C6H12), and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ: C8N2O2Cl2) have been studied using first principles calculations. The equilibrium tube-molecule distance, adsorptionenergy, and charge transfer are obtained. The hybridization between the DDQ molecular level and nanotubevalence bands transforms the semiconducting tube into a metallic one. Coupling of π electrons between tubes and aromatic molecules are observed. Our results show that noncovalent functionalization of carbon nanotubes by aromatic molecules is an efficient way to control the electronic properties of carbon nanotubes.
    Relation: Applied Physics Letters,82(21),3746-3748
    Data Type: article
    Appears in Collections:[應用物理研究所 ] 期刊論文

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