Yunfang Li
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1、Pathway into the silicon nucleation on silicene substrate at nanoscale

摘要:The solidification process of silicon atoms on the heterogeneous surface of silicene in different shapes, ranging from plane, curved to tubular substrates, is studied by means of molecular dynamics (MD) simulations. The shape of nucleus determines the stacking sequence of silicon atoms. Silicene plate induces strong ordered liquid layers while the silicene nanotube (SNT) makes the silicon imprint its cylindrical structure. In the confined nanospace between SNTs, the growth competition has been observed, which causes structural changes at the shared interface. The internal potential field around SNT is responsible for the formation of spiral structures and the growth competition. The ordering degree decays with increasing distances from the SNT, which is the result of the decreasing acting force from nucleus. This study provides an opportunity for comprehensive and satisfactory understanding of the heterogeneous nucleation at nanoscale.Display Omitted• Adding silicene nanotube (SNT) into silicon melt forms spiral atomic chains. • These silicon helical nanostructures show structural relevance with SNT. • The SNT-induced mechanism influences the epitaxial growth of silicon. • The field around SNT is responsible for the formation of nanostructures. • This study allows us to see the growth pattern of silicon induced by silicene.
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