Yazar "Ellialtıoğlu,Şinasi" için listeleme
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Atomic and electronic structure of Sr/Si(001)-(2 x 2)
Çakmak, Mükerrem; Mete, Ersen; Ellialtıoğlu,Şinasi (Elsevier Science Bv, 2006)The adsorption of Sr on the Si(001) surface with the semiantiphase dimer (2 x 2) reconstruction is studied, based upon the ab initio pseudopotential calculations. It is calculated that the sermantiphase dimer (2 x 2) ... -
Electronic structures and optical spectra of thin anatase TiO2 nanowires through hybrid density functional and quasiparticle calculations
Ünal, Hatice; Gülseren, Oğuz; Ellialtıoğlu,Şinasi; Mete, Ersen (Amer Physical Soc, 2014)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 using the standard, hybrid density functional ... -
Interaction of brpdı, brgly, and brasp with the rutile tio2(110) surface for photovoltaic and photocatalytic Applications: A first-principles study
Çakır, Deniz; Gülseren, Oğuz; Mete, Ersen; Ellialtıoğlu,Şinasi (Amer Chemical Soc, 2011)The adsorption of perylenediimide (PDI)-based dye compounds (BrPDI, BrGly, and BrAsp) on the defect-free unreconstructed (UR) rutile TiO2(110) surface has been studied using total energy pseudopotential calculations based ... -
Surface energy and excess charge in (1x2)-reconstructed rutile TiO2(110) from DFT plus U calculations
Ünal, Hatice; Mete, Ersen; Ellialtıoğlu,Şinasi (Amer Physical Soc, 2011)Physically reasonable electronic structures of reconstructed rutile TiO2(110)-(1x2) surfaces were studied using density functional theory (DFT) supplemented with Hubbard U on-site Coulomb repulsion acting on the d electrons, ...
