Role of hydrogen co-doping on opto-electronic behaviors of Na-H co-doped zinc oxide: a first principle study

In this work, the electronic structure and optical properties are investigated within the framework of the density functional theory (DFT) for different Na-H co-doping scenarios to find out the suitability of H co-doping technique for achieving p-type conductivity in ZnO. Very low formation energies were found for the H co-doped systems compared to others which suggests that they can suppress other n-type impurities and increase the effect of...