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.