Pathway into the silicon nucleation on silicene substrate at nanoscale

Abstract 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.