Résumé:
In this manuscript, we used density functional theory (DFT) to determine the structural,
electronic and optical properties of titanium dioxide TiO2 in its rutile phase doped with nickel
(Ni) as a transition metal and cerium(Ce) as a rare earth metal, and co-doped with (Ni, Ce), this
study is based on the FP-LAPW method implemented in the Wien2k code, we used the GGAPBE approximation and the TB-mBJ correction .
The results showed that co-doping with nickel(Ni) and cerium(Ce) induces impurity energy
levels above the valence band maximum (VBM), and thus a decrease in the gap energy and an
enhancement of the absorption of titanium dioxide from visible light. Such that the absorption of
TiO2 co-doped with nickel and cerium in the visible range is higher than the absorption of TiO2
doped only with nickel or with cerium
