44 citations · 188 across the 11 of their papers we have counts for
11 papers
Elucidating the barriers on direct water splitting: Key role of oxygen vacancy density and coordination over PbTiO and TiO
Ersen Mete, Şinasi Ellialtıoğlu, Oguz Gulseren +1
In this work, using the state-of-the-art first principles calculations based on density functional theory, we found that the concentration as well as coordination of surface oxygen…
Double Perovskite Structure Induced by Co Addition to PbTiO : Insights from DFT and Experimental Solid State NMR Spectroscopy
Ersen Mete, Selda Odabaşı, Haiyan Mao +5
The effects of Co addition on the chemical and electronic structure of PbTiO were explored both by theory and through experiment. Cobalt was incorporated to PbTiO during so…
Anatase TiO Nanowires Functionalized by Organic Sensitizers for Solar Cells : A Screened Coulomb Hybrid Density Functional Study
Hatice Unal, Deniz Gunceler, Oguz Gulseren +2
The adsorption of two different organic molecules cyanidin glucoside (COH) and TA-St-CA on anatase (101) and (001) nanowires have been investigated using the s…
Range separated hybrid density functional study of organic dye sensitizers on anatase TiO nanowires
Hatice Unal, Deniz Gunceler, Oguz Gulseren +2
The adsorption of organic molecules coumarin and the donor--acceptor type tetrahydroquinoline (C2-1) on anatase (101) and (001) nanowires have been investigated using screened C…
Electronic structures and optical spectra of thin anatase TiO2 nanowires through hybrid density functional and quasiparticle calculations
Hatice Unal, Oguz Gulseren, Sinasi Ellialtioglu +1
The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated u…
DFT study of noble metal impurities on TiO_2(110)
Ersen Mete, Oğuz Gülseren, Şinasi Ellialtıoğlu
Atomic and electronic structures of TiO_2(110) surface with possible adsorptional, substitutional and interstitial Au or Pt elemental impurities at full and one-sixth monolayer con…