Effect of substrate symmetry on the orientations of MoS2 monolayers

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) are promising platforms for developing next-generation electronic and optoelectronic devices due to their unique properties. To achieve this, the growth of large single-crystal TMDs is a critical issue. Unraveling the factors affecting the nucleation and domain orientation should hold fundamental significance. Herein, we design the chemical vapor deposition growth of monolayer MoS2 triangles on Au(111) and Au(100) facets, for exploring the substrate facet effects on the domain orientations. According to multi-scale characterizations, we find that, the obtained triangular MoS2 domains present two preferential orientations on the six-fold symmetric Au(111) facet, whereas four predominant orientations on the four-fold symmetric Au(100) facet. Using on-site scanning tunneling microscopy, we further reveal the preferred alignments of monolayer MoS2 triangles along the close-packed directions of both Au(111) and Au(100) facets. Moreover, bunched substrate steps are also found to form along the close-packed directions of the crystal facets, which guides the preferential nucleation of monolayer MoS2 along the step edges. This work should hereby deepen the understanding of the substrate facet/step effect on the nucleation and orientation of monolayer MoS2 domains, thus providing fundamental insights into the controllable syntheses of large single-crystal TMD monolayers.