2 papers
cond-mat.mtrl-sci2020
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…
cond-mat.str-el2018
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…