Ohmic Au-MoS₂ Contacts Enabled by Re Adsorbed MoS₂ Source/Drain Regions: An Ab-initio Quantum Transport Study

This study delves into the improved transport properties of 2D MoS <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> devices with metal contacts achieved through substitutional doping or adsorbed metals. We employed ab initio techniques to thoroughly examine electronic transport behavior. The incorporation of metals into MoS <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> is aimed at enhancing device performance and streamlining charge carrier transport. Our results illuminate the influence of doping on electronic and transport properties, offering valuable guidance for optimizing high-performance 2D metal contact in MoS <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> electronic devices.