The Vanadium effect on the electronic and optical properties of Ti3C2 graphene like: Based DFT

A first principles study of the electronic and optical properties of the Vanadium impurity on the Ti3C2 graphene like has been done in the framework of density functional theory to calculate the density of states, Bandstructure and optical coefficients spectra. Results inferred to the metallic behavior for Ti3C2:V graphene like. Adding the V impurity caused the energy loss has a red shift and the dielectric function show lower metallic behavior and the reflection index is shifted to one in the lower energy. Also, for the two cases we have anisotropy for the x and z direction. (C) 2018 The Authors. Published by Elsevier B.V.