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dc.contributor.author |
HAMDATNI, INES |
|
dc.date.accessioned |
2022-11-21T09:09:31Z |
|
dc.date.available |
2022-11-21T09:09:31Z |
|
dc.date.issued |
2022 |
|
dc.identifier.uri |
http://dspace.univ-guelma.dz/jspui/handle/123456789/13996 |
|
dc.description.abstract |
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 |
en_US |
dc.language.iso |
fr |
en_US |
dc.publisher |
université de guelma |
en_US |
dc.subject |
DFT, TB-mBJ, FP-LAPW, TiO2 rutile, photocatalysis, co-doping |
en_US |
dc.title |
Etude des propriétés structurales, électroniques et optiques des composés Ti1-xA xO2 (A= Ni, Ce et x=0.125), et du composé Ti1-2x AxBxO 2 (A=Ni, B=Ce et x =0.125). |
en_US |
dc.type |
Working Paper |
en_US |
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