Electronic conductivity of two-dimensional VS2 monolayers: A first principles study

Our first-principles calculations suggest the electronic conductivity of 2D VS 2 doped with all the transition elements (Me). The results show that W, Re, and Co are most effective dopants to improve the electronic conductivity of 2D VS 2 . It is also concluded that the electronic conductivity is associated with the band gap and lattice distortion of VS 2 . A narrowed band gap and a shrinkage of Me-S bond would lead to a high electronic...