Author/Authors :
Li، نويسنده , , Jiling and Xia، نويسنده , , Yueyuan and Zhao، نويسنده , , Mingwen and Liu، نويسنده , , Xiangdong and Song، نويسنده , , Chen and Li، نويسنده , , Lijuan and Li، نويسنده , , Feng and Huang، نويسنده , , Boda، نويسنده ,
Abstract :
We have performed ab initio calculations on the stability and structural and electronic properties of the fullerene-like cage (SiC)12 and its derivative products, the (SiC)12–(SiC)12 dimers and (SiC)12-based nanowires. The (SiC)12–(SiC)12 dimers and (SiC)12-based nanowires are found more stable than the (SiC)12. The optimized configurations of the (SiC)12-based nanowires are especially regular and exhibit stable dumbbell-shaped chain structures. The electronic structure calculations indicate that the two novel (SiC)12-based nanowires have band gaps of 1.586 eV and 2.055 eV, respectively, which may be promising for application in nanotechnology.
