Biosensor for the early diagnosis of lung cancer: A DFT study on the applicability of metal-doped graphene structures

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dc.authorid0000-0003-1092-615X
dc.contributor.authorKorucu, Seyma
dc.contributor.authorKose, Ahmet
dc.contributor.authorFellah, M. Ferdi
dc.date.accessioned2026-02-08T15:15:29Z
dc.date.available2026-02-08T15:15:29Z
dc.date.issued2024
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractThe 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.
dc.identifier.doi10.1016/j.sna.2024.115637
dc.identifier.issn0924-4247
dc.identifier.issn1873-3069
dc.identifier.scopus2-s2.0-85196933234
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.sna.2024.115637
dc.identifier.urihttps://hdl.handle.net/20.500.12885/5788
dc.identifier.volume376
dc.identifier.wosWOS:001262487800001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Sa
dc.relation.ispartofSensors and Actuators A-Physical
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzWOS_KA_20260207
dc.subjectBiosensor
dc.subjectLung cancer
dc.subjectDFT
dc.subjectGraphene
dc.subjectVOC
dc.subjectAdsorption
dc.subjectDetection
dc.titleBiosensor for the early diagnosis of lung cancer: A DFT study on the applicability of metal-doped graphene structures
dc.typeArticle

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