Yazar "Danışman, Mehmet Fatih" için listeleme
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Density functional theory investigation of carboranethiolarboranethiolarboranethiol self-assembled monolayers on Au(111)
Danışman, Mehmet Fatih; Mete, Ersen; Güney, Gülden; Yılmaz, Ayşen (Amer. Chemical Soc., 2016)Özet yok -
Dispersion corrected dft study of pentacene thin films on flat and vicinal au (111) surfaces
Mete, Ersen; Danışman, Mehmet Fatih (Amer Chemical Soc, 2015)Here we present a density functional theory study of pentacene ultrathin films on flat and vicinal [(455)] Au(111) surfaces. We have performed crystal and electronic structure calculations by using PBE and optB86b-vdW ... -
Influence of steps on the tilting and adsorption dynamics of ordered pentacene films on vicinal ag(111) surfaces
Ersen, Mete; Demiroğlu, İlker; Albayrak ,Erol; Bracco, Gianangelo; Ellialtıoğlu, Süleyman Şinasi; Danışman, Mehmet Fatih (Amer Chemical Soc, 2012)Here we present a structural study of pentacene (Pn) thin films on vicinal Ag(111) surfaces by He atom diffraction measurements and density functional theory (DFT) calculations supplemented with van der Waals (vdW) ... -
Pentacene multilayers on ag(111) surface
Mete, Ersen; Demiroğlu, İlker; Danışman, Mehmet Fatih; Ellialtioğlu, Şinasi (Amer Chemıcal Soc, 2010)The structural profiles and electronic properties of pentacene (C22H14) multilayers on Ag(111) surface has been studied within the density functional theory framework. We have performed first-principle total energy ... -
Uzun menzilli korelasyon dahilinde karborantiol metal yüzey etkileşimlerinin incelenmesi
Güney, Gülden (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2016)Karborantiyol izomerlerinin Au(111) yüzeyinde tutunması van der Waals düzeltilmiş yoğunluk fonksiyoneli teorik hesaplamaları ile çalışıldı. Bu bileşiklerin altın yüzeyindeki izole ve tam katman film yapıları deneysel olarak ... -
A van der Waals density functional investigation of carboranethiol self-assembled monolayers on Au(111)
Mete, Ersen; Yılmaz, Ayşen Zenginer; Danışman, Mehmet Fatih (Royal Society of Chemistry, 2016)Isolated and full monolayer adsorption of various carboranethiol (C2B10H12S) isomers on the gold(111) surface has been investigated using both the standard and van der Waals density functional theory calculations. The ... -
A van der waals dft study of chain length dependence of alkanethiol adsorption on au(111): physisorption vs. chemisorption
Mete, Ersen; Yortanlı, Merve; Danışman, Mehmet Fatih (Royal Soc Chemistry, 2017)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 density functional theory (DFT) calculations. ...
