High throughput screening of Ohmic contacts in 2D metal–semiconductor van der Waals heterojunctions

High-throughput DFT calculations have been employed to investigate the contact formation of 1297 semiconducting two-dimensional (2D) monolayers from the C2DB as channel materials with three 2D metal monolayers: PdTe 2 , NbSe 2 , and ScS 2 .