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The non-adiabatic exciton transfer in tetrathiafulvalene chains: a theoretical study of signal transmission in a molecular logic systemстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 30 декабря 2020 г.
- Авторы: Martynov A.I., Belov A.S., Nevolin V.K.
- Журнал: Physical Chemistry Chemical Physics
- Том: 22
- Номер: 43
- Год издания: 2020
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 25243
- Последняя страница: 25254
- DOI: 10.1039/d0cp03065a
- Аннотация: Using an exciton as a carrier was examined as a possible solution to the problem of signal transmission between molecular logic gates. A tetrathiafulvalene chain was chosen as a model for a molecular logic system and its distinct logic states were described as excitons located at certain tetrathiafulvalene units. The parameters of the exciton transfer between the units of the chain were studied. The transfer rate between the two adjacent units was calculated using the Plotnikov–Bixon–Jortner theory basing on molecular parameters calculated using TD-DFT. The order of electronic states was studied at the MCQDPT and TD-DFT levels of theory. It was found that certain functional groups in the chain can make exciton transfer faster than its recombination. The exciton can effectively carry a signal through the chain, which in turn can be enlarged and modified.
- Добавил в систему: Белов Александр Сергеевич