Yazar "Ünal, Hatice" için listeleme
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Anatase TiO2 nanowires functionalized by organic sensitizers for solar cells: A screened Coulomb hybrid density functional study
Ünal, Hatice; Günceler, Deniz; Gülseren, Oğuz; Ellialtioğlu, Şinasi; Mete, Ersen (Amer Inst Physics, 2015)The adsorption of two different organic molecules cyanidin glucoside (C21O11H20) and TA-St-CA on anatase (101) and (001) nanowires has been investigated using the standard and the range separated hybrid density functional ... -
Düşük boyutlu titanya kesitlerinde safsızlık modellerinin elektron dinamiği
Ünal, Hatice (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2015)(101) ve (001) yüzey kesitli ince nanotel formundaki kuazi-bir-boyutlu anataz titanyum dioksit nanoyapıların elektronik özellikleri ve görünür fotoabsorpsiyon karakteristikleri standart, hibrit yoğunluk fonksiyoneli ve ... -
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 ... -
Hybrid functional calculated optical and electronic structures of thin anatase TiO2 nanowires with organic dye adsorbates
Ünal, Hatice; Günceler, Deniz; Gülseren, Oğuz; Ellialtioğlu, Şinasi; Mete, Ersen (Elsevier Science BV, 2015)The electronic and optical properties of thin anatase TiO2 (1 0 1) and (0 0 1) nanowires have been investigated using the screened Coulomb hybrid density functional calculations. For the bare nanowires with sub-nanometer ... -
Manyetik malzemelerin mıknatıslanma mekanizmalarının iki boyutlu Ising modeliyle incelenmesi
Ünal, Hatice (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2009)Ferromanyetik malzemelerin başta algılayıcı uygulamaları olmak üzere mühendislik uygulamalarında önemli yere sahip olduğu bilinmektedir. Daha hassas ve güvenilir algılayıcıların geliştirilmesi açısından, bu malzemelerin ... -
Range-separated hybrid density functional study of organic dye sensitizers on anatase tio2 nanowires
Ünal, Hatice; Günceler, Deniz; Gülseren, Oğuz; Ellialtıoğlu, Süleyman Şinasi; Mete, Ersen (Amer Chemical Soc, 2014)The adsorption of organic molecules coumarin and the donor-p-acceptor type tetrahydroquinoline (C2-1) on anatase (101) and (001) nanowires has been investigated using screened Coulomb hybrid density functional theory ... -
A study of the density functional methods on the photoabsorption of bodipy dyes
Ünal, Hatice; Günceler, Deniz; Mete, Ersen (Elsevier Science Sa, 2014)Tunability of the photoabsorption and directional charge injection characteristics of Bodipy-based dye molecules with different carbonyl groups make them promising candidates for photovoltaic applications. In order to study ... -
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, ... -
Theoretical analysis of small pt particles on rutile tio2(110) surfaces
Çelik, Veysel; Ünal, Hatice; Mete, Ersen; Ellialtıoğlu, Şinasi (Amer Physical Soc, 2010)The adsorption profiles and electronic structures of Pt-n(n = 1-4) clusters on stoichiometric, reduced and reconstructed rutile TiO2(110) surfaces were systematically studied using on site d-d Coulomb interaction corrected ...
