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Dispersion Corrected DFT Study of Pentacene Thin Films on Flat and Vicinal Au Surfaces
Ersen Mete, Mehmet Fatih Danisman
Here we a present a density functional theory study of pentacene ultra-thin films on flat [(111)] and vicinal [(455)] Au surfaces. We have performed crystal and electronic structur…
Range separated hybrid density functional study of organic dye sensitizers on anatase TiO nanowires
Hatice Unal, Deniz Gunceler, Oguz Gulseren +2
The adsorption of organic molecules coumarin and the donor--acceptor type tetrahydroquinoline (C2-1) on anatase (101) and (001) nanowires have been investigated using screened C…
Electronic structures and optical spectra of thin anatase TiO2 nanowires through hybrid density functional and quasiparticle calculations
Hatice Unal, Oguz Gulseren, Sinasi Ellialtioglu +1
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 u…