Growth of aligned Mo6S6 nanowires on Cu(111)

Based on density functional theory (DFT) predictions and scanning tunneling microscopy (STM) measurements we report the possibility of using the Cu(111) surface for growth of molybdenum sulfide nanowires (Mo6S6). Strong substrate interactions coupled with small lattice mismatch lead to epitaxial growth of the nanowires parallel to a set of substrate high symmetry directions. We observe a propensity for creation of aligned and equally spaced arrays of nanowires and use DFT to elucidate interaction strength both in the absence and presence of the substrate.

160Highlights► Density functional theory (DFT) calculation and scanning tunneling microcopy (STM) imaging of Mo6S6 nanowires on Cu(111). ► Nanowires align with the substrate atomic rows and have a propensity for regular spacing. ► Nanowires are imaged as distinct units rather than bundled in stacks. ► DFT calculations identify the lateral interaction potential between wires.