Interaction of C59Si with Si based clusters: a study of Janus nanostructures | |
Wu, Miao Miao ; Zhou, Xiao ; Zhou, Jian ; Sun, Qiang ; Wang, Qian ; Jena, Puru | |
刊名 | journal of physics condensed matter
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2010 | |
关键词 | SILICON-DOPED HETEROFULLERENES AUGMENTED-WAVE METHOD ELECTRONIC-STRUCTURES MIXED CLUSTERS C-60 CARBON FULLERENES ANISOTROPY STABILITY GERMANIUM |
DOI | 10.1088/0953-8984/22/27/275303 |
英文摘要 | Using density functional theory with the generalized gradient approximation (GGA), we show that carbon-silicon Janus anisotropic nanostructures can be synthesized by using C59Si heterofullerene as a seed where the doped Si atom preferentially attaches to some well-known silicon and silicon based clusters such as Si-10, WSi12, TiSi16, and BaSi20. The interaction energy of these clusters with C59Si varies from 0.9 to 1.9 eV. The anisotropy of the resulting carbon-silicon Janus structures produces large dipole moments (4-9 D), anisotropic distributions of electronic orbitals, and the anisotropic reactivity.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000279003800005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Physics, Condensed Matter; SCI(E); PubMed; 1; ARTICLE; 27; 275303; 22 |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://ir.pku.edu.cn/handle/20.500.11897/194939] ![]() |
专题 | 工学院 |
推荐引用方式 GB/T 7714 | Wu, Miao Miao,Zhou, Xiao,Zhou, Jian,et al. Interaction of C59Si with Si based clusters: a study of Janus nanostructures[J]. journal of physics condensed matter,2010. |
APA | Wu, Miao Miao,Zhou, Xiao,Zhou, Jian,Sun, Qiang,Wang, Qian,&Jena, Puru.(2010).Interaction of C59Si with Si based clusters: a study of Janus nanostructures.journal of physics condensed matter. |
MLA | Wu, Miao Miao,et al."Interaction of C59Si with Si based clusters: a study of Janus nanostructures".journal of physics condensed matter (2010). |
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