Exact roles of individual chemical forms of nitrogen in the photoluminescent properties of nitrogen-doped carbon dots

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F17%3A73584327" target="_blank" >RIV/61989592:15310/17:73584327 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S2352940717300355" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2352940717300355</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.apmt.2017.03.004" target="_blank" >10.1016/j.apmt.2017.03.004</a>

Result language
angličtina
Original language name
Exact roles of individual chemical forms of nitrogen in the photoluminescent properties of nitrogen-doped carbon dots
Original language description
The chemical and structural complexity of doped carbon dots impedes the understanding of their photoluminescence and hence rational design of doped carbon dots with tailored properties. We present an ensemble approach for modeling the absorption and fluorescence spectra of nitrogen-doped carbon dots that reveals how the type and content of nitrogen, as well as chromophore variability, affect the optical properties. We combined time-dependent density functional theory calculations and Boltzmann averaging of distributions of doped carbon dots models containing nitrogen in the form of amine, pyridinic, and pyrrolic moieties. The method was shown to be robust, provided reliable spectra and has applications in the systematic exploration of doped carbon dot optical properties. Amine groups caused red-shifts in the absorption and fluorescence maxima of nitrogen-doped carbon dots, while pyridinic and pyrrolic doping had the opposite effect, shown by blue-shifts in the absorption and fluorescence maxima.
Czech name
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Czech description
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Type
J<sub>SC</sub> - Article in a specialist periodical, which is included in the SCOPUS database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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