Graphene and silicene quantum dots for nanomedical diagnostics

dc.bibliographicCitation.firstPage801eng
dc.bibliographicCitation.issue2eng
dc.bibliographicCitation.journalTitleRSC Advanceseng
dc.bibliographicCitation.lastPage811eng
dc.bibliographicCitation.volume10eng
dc.contributor.authorDrissi, L. B.
dc.contributor.authorOuarrad, H.
dc.contributor.authorRamadan, F. Z.
dc.contributor.authorFritzsche, W.
dc.date.accessioned2022-05-10T09:28:36Z
dc.date.available2022-05-10T09:28:36Z
dc.date.issued2019
dc.description.abstractIn the present work, the prominent effects of edge functionalization, size variation and base material on the structural, electronic and optical properties of diamond shaped graphene and silicene quantum dots are investigated. Three functional groups, namely (-CH3, -OH and -COOH) are investigated using the first principles calculations based on the density functional, time-dependent density functional and many-body perturbation theories. Both the HOMO-LUMO energy gap, the optical absorption and the photoluminescence are clearly modulated upon functionalization compared to the H-passivated counterparts. Besides the functional group, the geometric distortion induced in some QDs also influences their optical features ranging from near ultra-violet to near infra-red. All these results indicate that edge-functionalizations provide a favorable key factor for adjusting the optoelectronic properties of quantum dots for a wide variety of nanomedical applications, including in vitro and in vivo bioimaging in medical diagnostics and therapy. This journal is © The Royal Society of Chemistry.eng
dc.description.versionpublishedVersioneng
dc.identifier.urihttps://oa.tib.eu/renate/handle/123456789/8923
dc.identifier.urihttps://doi.org/10.34657/7961
dc.language.isoengeng
dc.publisherCambridge : RSCeng
dc.relation.doihttps://doi.org/10.1039/c9ra08399e
dc.relation.essn2046-2069
dc.rights.licenseCC BY-NC 3.0 Unportedeng
dc.rights.urihttps://creativecommons.org/licenses/by-nc/3.0/eng
dc.subject.ddc540eng
dc.subject.otherCalculationseng
dc.subject.otherDensity functional theoryeng
dc.subject.otherDiagnosiseng
dc.subject.otherGrapheneeng
dc.subject.otherLight absorptioneng
dc.subject.otherNanocrystalseng
dc.subject.otherOptical propertieseng
dc.subject.otherPerturbation techniqueseng
dc.subject.otherSiliceneeng
dc.subject.otherDensity functionalseng
dc.subject.otherElectronic and optical propertieseng
dc.subject.otherFirst-principles calculationeng
dc.subject.otherGeometric distortioneng
dc.subject.otherHOMO-LUMO energy gapeng
dc.subject.otherMany body perturbation theoryeng
dc.subject.otherOptoelectronic propertieseng
dc.subject.otherTime-dependent densityeng
dc.subject.otherSemiconductor quantum dotseng
dc.titleGraphene and silicene quantum dots for nanomedical diagnosticseng
dc.typeArticleeng
dc.typeTexteng
tib.accessRightsopenAccesseng
wgl.contributorIPHTeng
wgl.subjectChemieeng
wgl.typeZeitschriftenartikeleng
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