Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation
The introduction of N doping atoms in the carbon network of Carbon Dots is known to increase their quantum yield and broaden the emission spectrum, depending on the kind of N bonding introduced. N doping is usually achieved by exploiting amine molecules in the synthesis. In this work, we studied the...
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MDPI AG
2022-02-01
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| Online Access: | https://www.mdpi.com/1996-1944/15/4/1468 |
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| author | Chiara Olla Stefania Porcu Francesco Secci Pier Carlo Ricci Carlo Maria Carbonaro |
| author_facet | Chiara Olla Stefania Porcu Francesco Secci Pier Carlo Ricci Carlo Maria Carbonaro |
| author_sort | Chiara Olla |
| collection | DOAJ |
| description | The introduction of N doping atoms in the carbon network of Carbon Dots is known to increase their quantum yield and broaden the emission spectrum, depending on the kind of N bonding introduced. N doping is usually achieved by exploiting amine molecules in the synthesis. In this work, we studied the possibility of introducing a N–N bonding in the carbon network by means of hydrothermal synthesis of citric acid and hydrazine molecules, including hydrated hydrazine, di-methylhydrazine and phenylhydrazine. The experimental optical features show the typical fingerprints of Carbon Dots formation, such as nanometric size, excitation dependent emission, non-single exponential decay of photoluminescence and G and D vibrational bands in the Raman spectra. To explain the reported data, we performed a detailed computational investigation of the possible products of the synthesis, comparing the simulated absorbance spectra with the experimental optical excitation pattern. The computed Raman spectra corroborate the hypothesis of the formation of pyridinone derivatives, among which the formation of small polymeric chains allowed the broad excitation spectra to be experimentally observed. |
| first_indexed | 2024-03-09T21:31:20Z |
| format | Article |
| id | doaj.art-5187b26abbef48eab4b8446fc7b3b475 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-09T21:31:20Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-5187b26abbef48eab4b8446fc7b3b4752023-11-23T20:53:49ZengMDPI AGMaterials1996-19442022-02-01154146810.3390/ma15041468Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental InvestigationChiara Olla0Stefania Porcu1Francesco Secci2Pier Carlo Ricci3Carlo Maria Carbonaro4Department of Physics, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato, ItalyDepartment of Physics, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato, ItalyDepartment of Chemistry and Geological Science, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato, ItalyDepartment of Physics, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato, ItalyDepartment of Physics, University of Cagliari, Cittadella Universitaria, I-09042 Monserrato, ItalyThe introduction of N doping atoms in the carbon network of Carbon Dots is known to increase their quantum yield and broaden the emission spectrum, depending on the kind of N bonding introduced. N doping is usually achieved by exploiting amine molecules in the synthesis. In this work, we studied the possibility of introducing a N–N bonding in the carbon network by means of hydrothermal synthesis of citric acid and hydrazine molecules, including hydrated hydrazine, di-methylhydrazine and phenylhydrazine. The experimental optical features show the typical fingerprints of Carbon Dots formation, such as nanometric size, excitation dependent emission, non-single exponential decay of photoluminescence and G and D vibrational bands in the Raman spectra. To explain the reported data, we performed a detailed computational investigation of the possible products of the synthesis, comparing the simulated absorbance spectra with the experimental optical excitation pattern. The computed Raman spectra corroborate the hypothesis of the formation of pyridinone derivatives, among which the formation of small polymeric chains allowed the broad excitation spectra to be experimentally observed.https://www.mdpi.com/1996-1944/15/4/1468carbon dotsnitrogen dopingRamanphotoluminescenceDFThydrazines |
| spellingShingle | Chiara Olla Stefania Porcu Francesco Secci Pier Carlo Ricci Carlo Maria Carbonaro Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation Materials carbon dots nitrogen doping Raman photoluminescence DFT hydrazines |
| title | Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation |
| title_full | Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation |
| title_fullStr | Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation |
| title_full_unstemmed | Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation |
| title_short | Towards N–N-Doped Carbon Dots: A Combined Computational and Experimental Investigation |
| title_sort | towards n n doped carbon dots a combined computational and experimental investigation |
| topic | carbon dots nitrogen doping Raman photoluminescence DFT hydrazines |
| url | https://www.mdpi.com/1996-1944/15/4/1468 |
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