Theoretical investigation of the adsorption behaviors of fluorouracil as an anticancer drug on pristine and B-, Al-, Ga-doped C36 nanotube M Kurban, İ Muz Journal of Molecular Liquids 309, 113209, 2020 | 56 | 2020 |
A First-Principles evaluation on the interaction of 1,3,4-Oxadiazole with pristine and B-, Al-, Ga-doped C60 fullerenes İ Muz, M Kurban Journal of Molecular Liquids, 116181, 2021 | 48 | 2021 |
Electronic structure, elastic and phonon properties of perovskite-type hydrides MgXH3 (X= Fe, Co) for hydrogen storage A Candan, M Kurban Solid State Communications 281, 38-43, 2018 | 48 | 2018 |
Photonic, spectroscopic properties and electronic structure of PTCDI-C8 organic nanostructure B Gündüz, M Kurban Vibrational Spectroscopy 96, 46-51, 2018 | 47 | 2018 |
Evaluation of electronic transport and optical response of two-dimensional Fe-doped TiO2 thin films for photodetector applications F Kara, M Kurban, B Coşkun Optik, 164605, 2020 | 45 | 2020 |
A comprehensive study on electronic structure and optical properties of carbon nanotubes with doped B, Al, Ga, Si, Ge, N, P and As and different diameters I Muz, M Kurban Journal of Alloys and Compounds 802, 25-35, 2019 | 45 | 2019 |
Experimental and theoretical studies of the structural, electronic and optical properties of BCzVB organic material M Kurban, B Gündüz, F Göktaş Optik 182, 611-617, 2019 | 45 | 2019 |
Electronic structure, optical and structural properties of Si, Ni, B and N-doped a carbon nanotube: DFT study M Kurban Optik 172, 295-301, 2018 | 42 | 2018 |
Physical and optical properties of DCJTB dye for OLED display applications: experimental and theoretical investigation M Kurban, B Gündüz Journal of Molecular Structure 1137, 403-411, 2017 | 39 | 2017 |
A density functional theory study on favipiravir drug interaction with BN-doped C60 heterofullerene İ Muz, F Göktaş, M Kurban Physica E: Low-dimensional Systems and Nanostructures 135, 114950, 2022 | 35 | 2022 |
Effect of Mg content on electronic structure, optical and structural properties of amorphous ZnO nanoparticles: A DFTB study H Kurban, S Alaei, M Kurban Journal of Non-Crystalline Solids 560, 120726, 2021 | 35 | 2021 |
Tailoring the structural properties and electronic structure of anatase, brookite and rutile phase TiO2 nanoparticles: DFTB calculations H Kurban, M Dalkilic, S Temiz, M Kurban Computational Materials Science 183, 109843, 2020 | 29 | 2020 |
3d-transition metals (Cu, Fe, Mn, Ni, V and Zn)-doped pentacene π-conjugated organic molecule for photovoltaic applications: DFT and TD-DFT calculations İ Muz, F Göktaş, M Kurban Theoretical Chemistry Accounts 139 (2), 23, 2020 | 27 | 2020 |
A DFT study on stability and electronic structure of AlN nanotubes İ Muz, H Kurban, M Kurban Materials Today Communications 26, 102118, 2021 | 26 | 2021 |
The electronic structure, transport and structural properties of nitrogen-decorated graphdiyne nanomaterials İ Muz, M Kurban Journal of Alloys and Compounds 842, 155983, 2020 | 26 | 2020 |
Structural and thermal properties of Cd–Zn–Te ternary nanoparticles: Molecular-dynamics simulations M Kurban, OB Malcıoğlu, Ş Erkoç Chemical Physics 464, 40-45, 2016 | 26 | 2016 |
Suppression of the Shuttle Effect in Li–S Batteries via Magnetron Sputtered TiO2 Thin Film at the Electrode-Electrolyte Interface T Zerrin, M Kurban, MM Dickson, M Ozkan, CS Ozkan ACS Applied Energy Materials, 2020 | 25 | 2020 |
DFT and TD-DFT studies of new pentacene-based organic molecules as a donor material for bulk-heterojunction solar cells İ Muz, M Kurban, M Dalkilic Journal of Computational Electronics, 2020 | 23 | 2020 |
Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression: A molecular dynamics simulation study M Kurban, Ş Erkoç Computational Materials Science 122, 295-300, 2016 | 22 | 2016 |
DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno[2,3-b] indole for dye-sensitized solar cell applications RE Mouhi, A Slimi, A Fitri, AT Benjelloun, S ElKhattabi, M Benzakour, ... Physica B: Condensed Matter, 413850, 2022 | 19 | 2022 |