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Modification of anatase TiO(001) surface electronic structure by Au impurity
E. Mete, O. Gulseren, S. Ellialtioglu
We have used density functional theory calculations based on the projector augmented wave method to investigate the electronic structure of Au-incorporated anatase TiO(001) sur…
Pt-incorporated anatase TiO2(001) surface for solar cell applications : First-principles density functional theory calculations
E. Mete, D. Uner, O. Gulseren +1
First-principles density functional theory calculations were carried out to determine the low energy geometries of anatase TiO(001) with Pt implants in the sublayers as substit…
Cs adsorption on Si(001) surface: ab initio study
R. Shaltaf, E. Mete, S. Ellialtioglu
First-principles calculations using density functional theory based on norm-conserving pseudopotentials have been performed to investigate the Cs adsorption on the Si(001) surface…
DFT study of Rb/Si(100)-2x1 System
E. Mete, R. Shaltaf, Ş. Ellialtıoğlu
We have investigated Rb adsorption on the Si(100) surface for 0.5 and 1 monolayer coverages using the total energy method with norm-conserving pseudopotentials. For 21 reco…