Graphene quantum dots (GQDs) are an innovative class of zero-dimensional graphitic nanomaterials with lateral dimensions less than 100 nm in size, that can be obtained following various synthetic pathways, including bottom-up methods based on the pyrolysis of small organic molecules, as well as top-down strategies based on the exfoliation of carbon materials, like fibers, nanotubes, graphite and fullerene [1]. These compounds possess distinctive and tunable photoluminescence (PL) properties, and show outstanding chemical inertness, simplicity of production, resistance to photobleaching, low cytotoxicity, as well as good biocompatibility in comparison to traditional semiconductor QDs. In very recent studies, partially oxidized graphene quantum dots have found applications in several technological fields, such as sensoristics, bioimaging and optoelectronic devices. Actually, the presence of carboxyl and hydroxyl groups at the borders of the carbon skeleton provides them with good water solubility and with the possibility of cation recognition, a property that can be successfully exploited to use them as selective multiple fluorescent sensors detecting different heavy metals (i. e. Hg, Cd, Pb, Cu, Ni and As) in water solutions In the present study, the spectral properties of the synthesized GQDs were investigated with UV–vis and fluorescent spectroscopies and were simulated with quanto-mechanical calculations within DFT /TD-DFT framework, where the solvent effect was modeled with both explicit water molecules and as a polarizable continuum dielectric (PCM)
Interaction of graphene quantum dots with metal ions in solution: an experimental and computational assessment of the optical prooerties / Gontrani, Lorenzo. - (2019). (Intervento presentato al convegno XVLII Congresso Congresso di Chimica Fisica tenutosi a Roma).
Interaction of graphene quantum dots with metal ions in solution: an experimental and computational assessment of the optical prooerties
Lorenzo Gontrani
Writing – Original Draft Preparation
2019
Abstract
Graphene quantum dots (GQDs) are an innovative class of zero-dimensional graphitic nanomaterials with lateral dimensions less than 100 nm in size, that can be obtained following various synthetic pathways, including bottom-up methods based on the pyrolysis of small organic molecules, as well as top-down strategies based on the exfoliation of carbon materials, like fibers, nanotubes, graphite and fullerene [1]. These compounds possess distinctive and tunable photoluminescence (PL) properties, and show outstanding chemical inertness, simplicity of production, resistance to photobleaching, low cytotoxicity, as well as good biocompatibility in comparison to traditional semiconductor QDs. In very recent studies, partially oxidized graphene quantum dots have found applications in several technological fields, such as sensoristics, bioimaging and optoelectronic devices. Actually, the presence of carboxyl and hydroxyl groups at the borders of the carbon skeleton provides them with good water solubility and with the possibility of cation recognition, a property that can be successfully exploited to use them as selective multiple fluorescent sensors detecting different heavy metals (i. e. Hg, Cd, Pb, Cu, Ni and As) in water solutions In the present study, the spectral properties of the synthesized GQDs were investigated with UV–vis and fluorescent spectroscopies and were simulated with quanto-mechanical calculations within DFT /TD-DFT framework, where the solvent effect was modeled with both explicit water molecules and as a polarizable continuum dielectric (PCM)I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.