Nanomaterials design for biomedical applications
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České vysoké učení technické v Praze
Czech Technical University in Prague
Czech Technical University in Prague
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Abstract
Povrchově-zesílena Ramanová spektroskopie (SERS) je vysoce senzitivní a selektivní technika, která výrazně zesiluje signál analytu, v porovnání s jeho signálem z klasické Ramanovy spektroskopie, díký jeho interakci s povrchem daného substrátu. Bylo ukázáno, že boronem dopovaný grafen (B-grafen) zesiluje Ramanový signál jednoduchých organických molekul jako pyridin. Nedávné studie také dokázaly, že B-grafen zůstává termodynamicky stabilní při značně vyšších koncentracích boronu, než bylo dříve pozorováno. Jelikož B-grafen poskytuje větší zesílení než čistý grafen je vhodné jej detailněji zkoumat. V tomto projektu využívám kvantově-mechanických simulací za cílem popsání vlivu koncentrace a geometrické distribuce dopantu v B-grafenu na jeho schopnost zesilovat signál analytu, kterým je v mém případě glukóza. V této studii docházím k závěru, že B-grafen s koncentrací boronu 12.5% poskytuje větší zesílení signálu glukózy než B-grafen koncentrace ~1.39%, který byl zkoumán v předešlých studiích. B-grafen se tak jeví jako potenciální substrát pro detekci glukózy založené na povrchově-zesílené Ramanově spektroskopii.
Surface Enhanced Raman Spectroscopy (SERS) is a highly sensitive and selective technique that greatly enhances the signal of an analyte, compared with its signal from classical Raman Spectroscopy, due to its interaction with a substrates surface. It has been shown that low concentration boron-doped graphene (B-graphene) enhances the Raman signal of simple organic molecules like pyridine. Recent studies also suggest that B-graphene can remain thermodynamically stable when doped with significantly higher concentrations of boron than previously observed. Since B-graphene displays a higher enhancement factor compared to pristine graphene, this material warrants further investigation. In this framework, with this project, I use quantum mechanical simulations to investigate the influence of dopant concentration and geometric distribution on the effectiveness of B-doped graphene as a SERS substrate, with glucose as the analyte. I conclude that highly doped (12.5%) B-graphene provides a larger enhancement to glucose's Raman signal than the low concentration (~1.39%) B-graphene, which has been previously studied. As such the high concentration B-graphene presents itself as a potential substrate for SERS based detection of glucose.
Surface Enhanced Raman Spectroscopy (SERS) is a highly sensitive and selective technique that greatly enhances the signal of an analyte, compared with its signal from classical Raman Spectroscopy, due to its interaction with a substrates surface. It has been shown that low concentration boron-doped graphene (B-graphene) enhances the Raman signal of simple organic molecules like pyridine. Recent studies also suggest that B-graphene can remain thermodynamically stable when doped with significantly higher concentrations of boron than previously observed. Since B-graphene displays a higher enhancement factor compared to pristine graphene, this material warrants further investigation. In this framework, with this project, I use quantum mechanical simulations to investigate the influence of dopant concentration and geometric distribution on the effectiveness of B-doped graphene as a SERS substrate, with glucose as the analyte. I conclude that highly doped (12.5%) B-graphene provides a larger enhancement to glucose's Raman signal than the low concentration (~1.39%) B-graphene, which has been previously studied. As such the high concentration B-graphene presents itself as a potential substrate for SERS based detection of glucose.