Electronic transport properties of atomic wires on monolayers

In recent years, several scientific organizations have focused on the electrical characteristics of atomic wires on monolayers. The usage of MoS2 in many technologies requires contacts between metallic atomic wires and MoS2. Using first-principles density functional theory, we investigate the interaction of a variety of metallic atomic wires on MoS2, including Al and Pt. The electronic properties of atomic wire sandwiches containing MoS2 monolayers such as aluminium (Al) and platinum (Pt) have been thoroughly investigated using density functional theory calculations. Despite significant lattice deformation, structural investigations show that all sandwich systems almost maintain the original MoS2 structure type. By inserting flat impurity bands within the band gap, the electronic transport property is improved. The electrical structure of the system reveals the binding processes and trends in binding energy. On MoS2, we show that monitoring monomer adhesion energy and mobility on the substrate may be used to predict metal nanoparticle growth morphologies. The indirect bandgap of layered atomic wires sandwiched with MoS2 becomes a direct band gap in the visible spectrum, making them appropriate for optoelectronics devices.