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題名 Structural and electronic properties of graphene nanotube–nanoribbon hybrids
作者 楊志開
Lee,Chi-Hsuan ;Yang,Chih-Kai ;Lin,Ming-Fa ;Chang,Cheng-Pong ;Su,Wan-Sheng
貢獻者 應物所
日期 2011.01
上傳時間 23-Sep-2014 10:27:48 (UTC+8)
摘要 The structural and electronic properties of a hybrid of an armchair graphene nanotube and a zigzag graphene nanoribbon are investigated by first-principles spin-polarized calculations. These properties strongly depend either on the nanotube location or on the spin orientation. The interlayer spacing, the transverse distance from the center of the ribbon and the stacking configuration affect the electronic structures. The antiferromagnetic configuration has a lower total energy than the ferromagnetic one. The interlayer atomic interactions between the two subsystems would change the low energy dispersions, open subband spacings, and induce more band-edge states. Moreover, such interactions create an energy gap and break the spin degeneracy in the antiferromagnetic configuration. The band-edge-state energies are sensitive to the nanotube location.
關聯 Physical Chemistry Chemical Physics,13,3925-3931
資料類型 article
DOI http://dx.doi.org/10.1039/c0cp01569e
dc.contributor 應物所en_US
dc.creator (作者) 楊志開zh_TW
dc.creator (作者) Lee,Chi-Hsuan ;Yang,Chih-Kai ;Lin,Ming-Fa ;Chang,Cheng-Pong ;Su,Wan-Shengen_US
dc.date (日期) 2011.01en_US
dc.date.accessioned 23-Sep-2014 10:27:48 (UTC+8)-
dc.date.available 23-Sep-2014 10:27:48 (UTC+8)-
dc.date.issued (上傳時間) 23-Sep-2014 10:27:48 (UTC+8)-
dc.identifier.uri (URI) http://nccur.lib.nccu.edu.tw/handle/140.119/70081-
dc.description.abstract (摘要) The structural and electronic properties of a hybrid of an armchair graphene nanotube and a zigzag graphene nanoribbon are investigated by first-principles spin-polarized calculations. These properties strongly depend either on the nanotube location or on the spin orientation. The interlayer spacing, the transverse distance from the center of the ribbon and the stacking configuration affect the electronic structures. The antiferromagnetic configuration has a lower total energy than the ferromagnetic one. The interlayer atomic interactions between the two subsystems would change the low energy dispersions, open subband spacings, and induce more band-edge states. Moreover, such interactions create an energy gap and break the spin degeneracy in the antiferromagnetic configuration. The band-edge-state energies are sensitive to the nanotube location.en_US
dc.format.extent 141 bytes-
dc.format.mimetype text/html-
dc.language.iso en_US-
dc.relation (關聯) Physical Chemistry Chemical Physics,13,3925-3931en_US
dc.title (題名) Structural and electronic properties of graphene nanotube–nanoribbon hybridsen_US
dc.type (資料類型) articleen
dc.identifier.doi (DOI) 10.1039/c0cp01569een_US
dc.doi.uri (DOI) http://dx.doi.org/10.1039/c0cp01569een_US