Singlet Fission Driven by Excited-State Intramolecular Proton Transfer (ESIPT+SF): A (TD)DFT Study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F23%3A00368691" target="_blank" >RIV/68407700:21230/23:00368691 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1002/cptc.202300017" target="_blank" >https://doi.org/10.1002/cptc.202300017</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cptc.202300017" target="_blank" >10.1002/cptc.202300017</a>

Result language
angličtina
Original language name
Singlet Fission Driven by Excited-State Intramolecular Proton Transfer (ESIPT+SF): A (TD)DFT Study
Original language description
Singlet fission is a photophysical process able to generate two triplet excitons after the absorption of one high-energy photon. Although this process is expected to boost the efficiency of photovoltaic cells, the instability of all known singlet fission materials hindered its implementation in any practical device. In order to overcome this limitation, we present a novel photophysical process that combines excited-state intramolecular proton transfer and singlet fission (ESIPT+SF). Together with the suggested mechanism, this study provides a computational analysis identifying possible ESIPT+SF materials.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20501 - Materials engineering

Project
<a href="/en/project/EF15_003%2F0000464" target="_blank" >EF15_003/0000464: Centre of Advanced Photovoltaics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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