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    题名: Doping a C60 molecule with potassium atoms: A theoretical study
    作者: 楊志開
    Yang,Chih-Kai
    贡献者: 應物所
    日期: 2005
    上传时间: 2014-09-25 11:47:05 (UTC+8)
    摘要: We study the doping of a free C 60 molecule by potassium atoms. Ab initio calculations based on density functional theory indicate that K atoms are fairly strongly bound to the carbon cage. The electrical conduction of the structure is also enhanced after each successive doping of K. We also observe a downward shift of energy levels toward the Fermi energy with the increase of doping. These properties are very consistent with experimental results. The K-doped structure is promising for applications in molecular electronics.
    關聯: Journal of Applied Physics,98,116103-1-116103-3
    数据类型: article
    显示于类别:[應用物理研究所 ] 期刊論文

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