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題名 Geometric and electronic properties of edge-decorated graphene nanoribbons
作者 Chang, S.-L.;Lin, S.-Y.;Lin, S.-K.;Lee, Chi Hsuan;Lin, M.-F.
貢獻者 應物所
日期 2014-08
上傳時間 16-六月-2015 17:35:04 (UTC+8)
摘要 Edge-decorated graphene nanoribbons are investigated with the density functional theory; they reveal three stable geometric structures. The first type is a tubular structure formed by the covalent bonds of decorating boron or nitrogen atoms. The second one consists of curved nanoribbons created by the dipole-dipole interactions between two edges when decorated with Be, Mg, or Al atoms. The final structure is a flat nanoribbon produced due to the repulsive force between two edges; most decorated structures belong to this type. Various decorating atoms, different curvature angles, and the zigzag edge structure are reflected in the electronic properties, magnetic properties, and bonding configurations. Most of the resulting structures are conductors with relatively high free carrier densities, whereas a few are semiconductors due to the zigzag-edge-induced anti-ferromagnetism.
關聯 Scientific Reports, 4, 論文編號 6038
資料類型 article
DOI http://dx.doi.org/10.1038/srep06038
dc.contributor 應物所
dc.creator (作者) Chang, S.-L.;Lin, S.-Y.;Lin, S.-K.;Lee, Chi Hsuan;Lin, M.-F.
dc.date (日期) 2014-08
dc.date.accessioned 16-六月-2015 17:35:04 (UTC+8)-
dc.date.available 16-六月-2015 17:35:04 (UTC+8)-
dc.date.issued (上傳時間) 16-六月-2015 17:35:04 (UTC+8)-
dc.identifier.uri (URI) https://ah.lib.nccu.edu.tw/item?item_id=84692-
dc.description.abstract (摘要) Edge-decorated graphene nanoribbons are investigated with the density functional theory; they reveal three stable geometric structures. The first type is a tubular structure formed by the covalent bonds of decorating boron or nitrogen atoms. The second one consists of curved nanoribbons created by the dipole-dipole interactions between two edges when decorated with Be, Mg, or Al atoms. The final structure is a flat nanoribbon produced due to the repulsive force between two edges; most decorated structures belong to this type. Various decorating atoms, different curvature angles, and the zigzag edge structure are reflected in the electronic properties, magnetic properties, and bonding configurations. Most of the resulting structures are conductors with relatively high free carrier densities, whereas a few are semiconductors due to the zigzag-edge-induced anti-ferromagnetism.
dc.format.extent 913864 bytes-
dc.format.mimetype application/pdf-
dc.relation (關聯) Scientific Reports, 4, 論文編號 6038
dc.title (題名) Geometric and electronic properties of edge-decorated graphene nanoribbons
dc.type (資料類型) articleen
dc.identifier.doi (DOI) 10.1038/srep06038
dc.doi.uri (DOI) http://dx.doi.org/10.1038/srep06038