109 citations · 529 across the 26 of their papers we have counts for
27 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…
Carboxyl and Amine Functionalized Carboranethiol SAMs on Au(111) : A Dispersion Corrected Density Functional Theory Study
Merve Yortanlı, Ersen Mete
The morphological and electronic properties of isolated and monolayer phases of carboxyl- and amine-functionalized carboranethiols on unreconstructed Au(111) were determined using…
Common surface structures of graphene and Au(111) : The effect of rotational angle on adsorption and electronic properties
Merve Yortanlı, Ersen Mete
Graphene adsorption on Au(111) surface was explored to identify their common surface structures by means of van der Waals corrected density functional theory calculations. The alig…
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…
Screened Coulomb Hybrid Density Functional Investigation of Oxygen Point Defects on ZnO Nanowires
Veysel Çelik, Ersen Mete
In this study, oxygen vacancies and adatoms have been considered on the surface of both hexagonal and triangular ZnO nanowires. Their effect on the electronic structure and optical…
A van der Waals DFT study of chain length dependence of alkanethiol adsorption on Au(111): Physisorption vs.chemisorption
Ersen Mete, Merve Yortanlı, Mehmet Fatih Danışman
The energetics and structures of physisorbed and chemisorbed alkanethiols on Au(111) have been systematically investigated up to 10 carbon atoms using van der Waals (vdW) corrected…