Yazar "Korucu, Seyma" seçeneğine göre listele

Listeleniyor 1 - 2 / 2
  • Küçük Resim Yok
    Öğe
    Biosensor for the early diagnosis of lung cancer: A DFT study on the applicability of metal-doped graphene structures
    (Elsevier Science Sa, 2024) Korucu, Seyma; Kose, Ahmet; Fellah, M. Ferdi
    The usability of metal-doped graphene structures as biosensor was investigated to develop a preliminary diagnosis of lung cancer in this study. The adsorption and sensing properties of graphene structures formed by doping metal atoms (Pt, Pd, Ni, Ir and Cu) toward aniline, toluene, styrene and benzene gases were examined. Using the DFT/WB97XD method with 6-31 G (d, p)/LANL2DZ basis sets, significant charge transfer from the target gases to the metal-doped graphene structures were observed. After adsorption, the HOMO-LUMO gap values of graphene structures doped with Pt, Cu, and Ni atoms have decreased. All adsorption processes are spontaneous according to the adsorption Gibbs free energy. The findings indicate that copper-doped and platinum-doped graphene have strong potential as electronic and work function sensors for detecting aniline, toluene, styrene, and benzene, which are biomarkers for lung cancer.
  • Küçük Resim Yok
    Öğe
    Pt, Pd and Au decorated reduced graphene oxide: Sensing properties for phenol gas detection at room temperature
    (Elsevier Science Sa, 2024) Korucu, Seyma; Kose, Ahmet; Fellah, M. Ferdi
    The adsorbent and sensor properties of metal decorated (Pt, Au and Pd) reduced graphene oxide (rGO) structures for phenol gas were investigated using Density Functional Theory (DFT) method with WB97XD formalism. The NBO charge values suggest the occurrence of charge transfer from the phenol molecule to the rGO structures. After the adsorption of phenol, the HOMO-LUMO gap values of the Pt-decorated rGO structure were observed to decrease, while the work function values of the Pt-decorated rGO structure were found to increase. The recovery time for phenol molecule on the Pt-rGO structure was determined to be 0.0019 seconds. These results imply that the Pt-decorated rGO structure can function as a work function sensor in addition to an electronic sensor for phenol gas molecule.