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Publikováno v:
The Journal of Physical Chemistry C. 111:15020-15025
The results of an ab initio calculation, based on pseudopotentials and the density functional theory, for the atomic and electronic structures of the chemisorption of 3-aminopropyltrimethoxysilane (APTS) on the Si(001)-(2 × 2) surface are presented.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::884a75b00e0368d209edd2447d097fe9
https://doi.org/10.1021/jp073954l
https://doi.org/10.1021/jp073954l
Publikováno v:
Surface Science. 601:3740-3744
The chemisorption and reaction of 3-aminopropyltrimethoxysilane (APTS) molecule on the Si(1 1 1)-( 3 × 3 ) surface are investigated by first principles density-functional calculations within the generalized gradient approximation. Before studying th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e1ab0d1b8b3df642c8576afdf6c8bbef
https://doi.org/10.1016/j.susc.2007.04.045
https://doi.org/10.1016/j.susc.2007.04.045
Publikováno v:
The Journal of Physical Chemistry Part C
Mete, Ersen (Balikesir Author)
The systematic trends in structural and electronic properties of perylenediimide (PDI)-derived dye molecules have been investigated by DFT calculations based on the projector-augmented wave (PAW) method including g
The systematic trends in structural and electronic properties of perylenediimide (PDI)-derived dye molecules have been investigated by DFT calculations based on the projector-augmented wave (PAW) method including g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6bca3afd85aef6ffb29b43b1f1bd839
https://doi.org/10.1021/jp0659812
https://doi.org/10.1021/jp0659812
Autor:
Ş. Ellialtıoğlu, Ali Arslan Kaya, T. Baykara, F. M. Hashimzade, D. A. Huseinova, S. Onari, K. R. Allakhverdiev, K Kawamura, A. M. Kulibekov
Publikováno v:
Materials Research Bulletin. 41:751-763
The Bridgman method is used to grow especially undoped and doped single crystals of GaSe. Composition and impurity content of the grown crystals were determined using X-ray fluorescence (XRF) method. X-ray diffraction, Raman scattering, photoluminesc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95d511bfcd88c7a49dd4a45d25f76a01
https://doi.org/10.1016/j.materresbull.2005.10.015
https://doi.org/10.1016/j.materresbull.2005.10.015
Publikováno v:
Surface Science. 583:119-125
We have investigated Rb adsorption on the Si(100) surface for 0.5 and 1 monolayer coverages using the total energy method with norm-conserving pseudopotentials. For 2$\times$1 reconstruction at 1 ML coverage symmetrized dimers are found to be energet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92c6fbeace892aff7cc93c8930c59e09
https://doi.org/10.1016/j.susc.2005.03.030
https://doi.org/10.1016/j.susc.2005.03.030
Publikováno v:
Surface Science. :956-960
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3bbf6a8b410e18d0705d7c57f19833e
https://doi.org/10.1016/j.susc.2004.06.036
https://doi.org/10.1016/j.susc.2004.06.036
Publikováno v:
Biotechnology & Biotechnological Equipment. 18:47-53
The effects of Alternaria alternata (Fr.) Keissler, yeast extract, cellulase, jasmonic acid (JA), hydrogen peroxide (H2O2), and salicylic acid (SA) on the capsidiol accumulation were investigated in the cell suspension cultures of three genotypes (re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::714525bb73acc2dcfa67044fcd32c2f7
https://doi.org/10.1080/13102818.2004.10819229
https://doi.org/10.1080/13102818.2004.10819229
Publikováno v:
Surface Science. :661-665
Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate the displacive Sb adsorption on the Si(0 0 1) surface with the (2 x 1) reconstruction. For the one-monolayer coverage
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41411023b4653b756f071fa5c5a91a2a
https://doi.org/10.1016/s0039-6028(03)00454-0
https://doi.org/10.1016/s0039-6028(03)00454-0
WOS: 000335228400032
Based on pseudopotential method and density functional theory, we have investigated the stability, atomic geometry, and detailed electronic structures for Bi adsorbates on the InAs(111)-(2 x 2) surface with three different s
Based on pseudopotential method and density functional theory, we have investigated the stability, atomic geometry, and detailed electronic structures for Bi adsorbates on the InAs(111)-(2 x 2) surface with three different s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1dc7710f4a20fabb57f6d76d5bf435ff
https://hdl.handle.net/20.500.12451/4996
https://hdl.handle.net/20.500.12451/4996
