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Metal Substitution as the Method of Modifying Electronic Structure of Metal-Organic Frameworksстатья
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: 8 декабря 2019 г.
- Авторы: Syzgantseva Maria A., Ireland Christopher Patrick, Ebrahim Fatmah Mish, Smit Berend, Syzgantseva Olga A.
- Журнал: Journal of the American Chemical Society
- Том: 141
- Номер: 15
- Год издания: 2019
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 6271
- Последняя страница: 6278
- DOI: 10.1021/jacs.8b13667
- Аннотация: Targeted modification of electronic structure is an important step in the optimization of metal–organic frameworks (MOFs) for photovoltaic, sensing, and photocatalytic applications. The key parameters to be controlled include the band gap, the absolute energy position of band edges, the excited state charge separation, and degree of hybridization between metal and ligand sites. Partial metal replacement, or metal doping, within secondary building units is a promising, yet relatively unexplored route to modulate these properties in MOFs. Therefore, in the present study, a general method for selecting metal dopant is worked out in theory and validated by experiment, retaining MIL-125 and UiO-66 as the model systems. Metal mixing enables targeted optimization of key electronic structure parameters. This method is applicable to any MOF architecture and can serve as a roadmap for future synthesis of MOFs with predefined properties.
- Добавил в систему: Сызганцева Ольга Алексеевна