Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Cagil Kaderoglu"'
High uptake and fixation ability of BC monolayer for CO and NO toxic gases: a computational analysis
Publikováno v:
Journal of Materials Science. 56:18566-18580
Two-dimensional (2D) monolayers have opened a new door for further studies in search of multifunctional materials. In addition to the interesting properties that these monolayers exhibit on their own, these properties can be tuned by doping, creating
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::139ef3a9c33764bec0dd9154c5d70fe7
https://doi.org/10.1007/s10853-021-06524-7
https://doi.org/10.1007/s10853-021-06524-7
Publikováno v:
Journal of Materials Science. 56:18581-18581
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d3035e71ff4b06e5ef734e1073fb9d2
https://doi.org/10.1007/s10853-021-06550-5
https://doi.org/10.1007/s10853-021-06550-5
Publikováno v:
Applied Surface Science. 554:149585
In this study, plasmonic properties of transition metal atoms (Sc-Zn, Pd, Pt) adsorbed on various sites of graphene sheets were investigated before and after CO adsorption by density functional theory (DFT). To this aim, Electron Energy Loss Spectros
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87a21f41ceb05b5c60ad1f390532a38b
https://doi.org/10.1016/j.apsusc.2021.149585
https://doi.org/10.1016/j.apsusc.2021.149585
Autor:
Cagil Kaderoglu
The first principles density functional theory (DFT) calculations have been used to investigate the atomic and electronic properties of thiadiazole adsorption on the Si(001) surface. A (2 × 2) reconstructed clean substrate surface has been chosen to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d0add7bb676173e1cf53f76a58a6a51
WOS: 000408947000042 The structural, mechanical, electronic and lattice dynamical properties of the PrYbO3 compound from the ABO(3)-type perovskite family have been investigated by performing the first-principles density functional theory calculation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7227ea26bd903ec727801342e7be85c
https://avesis.gazi.edu.tr/publication/details/09a4db33-b050-4d6c-bcb7-e577dfb21038/oai
https://avesis.gazi.edu.tr/publication/details/09a4db33-b050-4d6c-bcb7-e577dfb21038/oai
WOS: 000393723800015
First principles density functional theory (DFT) calculations have been used to investigate the structural, anisotropic elastic and electronic properties of ruthenium doped tungsten-diboride ternary compounds (W1-XRUxB2) for
First principles density functional theory (DFT) calculations have been used to investigate the structural, anisotropic elastic and electronic properties of ruthenium doped tungsten-diboride ternary compounds (W1-XRUxB2) for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0b73ff4dd4277a7f6bd972d99030890
https://hdl.handle.net/20.500.12451/6154
https://hdl.handle.net/20.500.12451/6154
The chemisorption of the allylamine molecule, which contains two functional groups (ethenyl and hydroxyl), on a Si(001) - (2 x 1) surface was studied using density functional theory (ab-initio DFT) based on the pseudopotential approach. In particular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::935800da7d1d4ad33db6e16dc7886819
https://aperta.ulakbim.gov.tr/record/85253
https://aperta.ulakbim.gov.tr/record/85253
The atomic and electronic properties of the substitutional phosphorus (P) on the Si(1 1 1)-(2 × 1) surface have been studied by using the ab initio density functional theory (DFT) based on pseudopotential approach. We have considered four different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebb630cd2af02d3ee66a38102349e91c
https://avesis.gazi.edu.tr/publication/details/9ff30429-d74f-4a08-bb32-b5c73daacce1/oai
https://avesis.gazi.edu.tr/publication/details/9ff30429-d74f-4a08-bb32-b5c73daacce1/oai
Ab initio calculations, based on pseudopotentials and density functional theory (DFT), have been performed to investigate the effect of hydrogenation on the electronic properties of P/Si(0 0 1)-(1 x 2) surface. In parallel with this, the electronic b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::071342a74d5944f1d6a36011dfb6de38
https://avesis.gazi.edu.tr/publication/details/63ce60ec-0647-4639-b0a9-489d74eaf0af/oai
https://avesis.gazi.edu.tr/publication/details/63ce60ec-0647-4639-b0a9-489d74eaf0af/oai
The atomic and electronic properties of the adsorption of furan (C4H4O) molecule on the Si(100)-(2 x 2) surface have been studied using ab initio calculations based on pseudopotential and density functional theory. We have considered two possible che
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bb9be8cdc0ab9990da50fd83490976c
https://avesis.gazi.edu.tr/publication/details/0e8bc2ba-0171-40da-9bc4-43d239d17c04/oai
https://avesis.gazi.edu.tr/publication/details/0e8bc2ba-0171-40da-9bc4-43d239d17c04/oai