SIC Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens.

The periodic systems containing planar tetracoordinate silicon (ptSi), SiC silagraphene, nanotubes, and nanoribbons, were predicted by means of density functional theory (DFT) computations. In SiC silagraphene, each silicon atom is bonded by four carbon atoms in a pure plane, representing the first...

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Detalles Bibliográficos
Publicado en:Journal of the American Chemical Society Vol. 133; no. 4; pp. 900 - 909
Autores principales: Yafei Li, Fengyu Li, Zhen Zhou, Zhongfang Chen
Formato: Artículo
Publicado: American Chemical Society 2/2/2011
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Acceso en línea:Ver este registro en EBSCOhost
Descripción
Sumario:The periodic systems containing planar tetracoordinate silicon (ptSi), SiC silagraphene, nanotubes, and nanoribbons, were predicted by means of density functional theory (DFT) computations. In SiC silagraphene, each silicon atom is bonded by four carbon atoms in a pure plane, representing the first anti-vant Hoff/Lebel species in the Si-containing extended system. SiC nanotubes, rolled up by the SiC silagraphene, exhibit excellent elastic properties. All these ptSicontaining nanomaterials are metallic, regardless of the chirality, tube diameter, or ribbon width. The high stabilities of these systems strongly suggest the feasibility for their experimental realizations.