题目：SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordin SiC2 Silagraphene and Its One-Dimensional Derivatives

作者：Yafei Li, Fengyu Li, Zhen Zhou*, and Zhongfang Chen*

期刊：J. Am. Chem. Soc.

卷号：2011, 133 (4), pp 900–908

The periodic systems containing planar tetracoordinate silicon (ptSi), SiC₂ silagraphene, nanotubes, and nanoribbons, were predicted by means of density functional theory (DFT) computations. In SiC₂silagraphene, each silicon atom is bonded by four carbon atoms in a pure plane, representing the first anti-van’t Hoff/Lebel species in the Si-containing extended system. SiC₂ nanotubes, rolled up by the SiC₂ silagraphene, exhibit excellent elastic properties. All these ptSi-containing 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.

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