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題名 Doping a C60 molecule with potassium atoms: A theoretical study
作者 楊志開
Yang,Chih-Kai
貢獻者 應物所
日期 2005
上傳時間 25-Sep-2014 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
資料類型 article
dc.contributor 應物所en_US
dc.creator (作者) 楊志開zh_TW
dc.creator (作者) Yang,Chih-Kaien_US
dc.date (日期) 2005en_US
dc.date.accessioned 25-Sep-2014 11:47:05 (UTC+8)-
dc.date.available 25-Sep-2014 11:47:05 (UTC+8)-
dc.date.issued (上傳時間) 25-Sep-2014 11:47:05 (UTC+8)-
dc.identifier.uri (URI) http://nccur.lib.nccu.edu.tw/handle/140.119/70143-
dc.description.abstract (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.en_US
dc.format.extent 254431 bytes-
dc.format.mimetype application/pdf-
dc.language.iso en_US-
dc.relation (關聯) Journal of Applied Physics,98,116103-1-116103-3en_US
dc.title (題名) Doping a C60 molecule with potassium atoms: A theoretical studyen_US
dc.type (資料類型) articleen