We present the molecular dynamics (MD) simulation of the finite-size effect in 2D silicene nanoribbons (SiNRs). Five silicene nanoribbon structures were modelled with the same length and buckling, but different width sizes. All models were melted from the perfect honeycomb silicene structure and then cooled from the disordered liquid state. Structural properties such as ring sizes, radial distribution function, coordination numbers, and interatomic distances have been carefully analysed. All models’ critical melting and cooling temperature were determined via total energy per atom. We found that 2D SiNRs transition temperature is lower than the pristine silicene. Particularly, the SiNRs present a noticeable finite-size effect on nanoribbons, resulting in a domain-type structure of 4, 5, and 6-fold rings
Tạp chí khoa học Trường Đại học Cần Thơ
Lầu 4, Nhà Điều Hành, Khu II, đường 3/2, P. Xuân Khánh, Q. Ninh Kiều, TP. Cần Thơ
Điện thoại: (0292) 3 872 157; Email: tapchidhct@ctu.edu.vn
Chương trình chạy tốt nhất trên trình duyệt IE 9+ & FF 16+, độ phân giải màn hình 1024x768 trở lên