Formation of single-and double-layer silicon in slit pores
Formation of single-and double-layer silicon in slit pores
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DOI：
10.1103/physrevb.77.081401
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发表时间：
2008-02
影响因子：
3.7
通讯作者：
T. Morishita;K. Nishio;M. Mikami
中科院分区：
文献类型：
--
作者：
T. Morishita;K. Nishio;M. Mikami
我们报告的形成准二维纳米结构的硅淬火液体硅限制在狭缝纳米孔。的形成过程进行了研究分子动力学（MD）计算使用Tersoff势。我们发现，单层或双层纳米片形成根据狭缝的宽度。这两种纳米片都含有六边形平面，并且单层纳米片的结构与石墨烯的结构相同。这些纳米片在狭缝纳米孔内的稳定性通过第一原理MD计算确认高达$300\phantom {\rule{0.3em}{0 ex}}\mathrm{K}$。目前的研究结果表明，通过限制在纳米孔中的新的纳米结构的合成的可能性。
We report on the formation of quasi-two-dimensional nanostructures of silicon by quenching liquid silicon confined in slit nanopores. The formation processes are investigated by molecular-dynamics (MD) calculations using the Tersoff potential. We find that single- or double-layer nanosheets are formed according to the slit width. Both of these nanosheets contain hexagonal planes, and the structure of the single-layer nanosheet is the same as that of graphene. The stability of these nanosheets within the slit nanopore is confirmed by first-principles MD calculations up to $300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$. The present findings demonstrate the possibility of the synthesis of novel nanostructures by confinement in nanopores.