Study of the growth mechanism of a self-assembled and ordered multi-dimensional heterojunction at atomic resolution

Multi-dimensional heterojunction materials have attracted much attention due to their intriguing properties, such as high efficiency, wide band gap regulation, low dimensional limitation, versatility and scalability. To further improve the performance of materials, researchers have combined materials with various dimensions using a wide variety of techniques. However, research on growth mechanism of such composite materials is still lacking. In this paper, the growth mechanism of multi-dimensional heterojunction composite material is studied using quasi-two-dimensional (quasi-2D) antimonene and quasi-one-dimensional (quasi-1D) antimony sulfide as examples. These are synthesized by a simple thermal injection method. It is observed that the consequent nanorods are oriented along six-fold symmetric directions on the nanoplate, forming ordered quasi-1D/quasi-2D heterostructures. Comprehensive transmission electron microscopy (TEM) characterizations confirm the chemical information and reveal orientational relationship between Sb 2 S 3 nanorods and the Sb nanoplate as substrate. Further density functional theory calculations indicate that interfacial binding energy is the primary deciding factor for the self-assembly of ordered structures. These details may fill the gaps in the research on multi-dimensional composite materials with ordered structures, and promote their future versatile applications. Graphical Abstract