277 citations · 535 across the 15 of their papers we have counts for
15 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…
Distinct Correlation between the Vibrational and Thermal Transport Properties of Group \textrm{VA} Monolayer Crystals
Tugbey Kocabas, Deniz Cakir, Oguz Gulseren +3
The investigation of thermal transport properties of novel two dimensional materials is crucially important in order to assess their potential to be used in future technological ap…
Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal
Shanawer Niaz, Aristides D. Zdetsis, Emmanuel N. Koukaras +2
In most of the realistic ab initio and model calculations which have appeared on the emission of light from Si nanocrystals, the role of surface oxygen has been usually ignored, un…
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…