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Influence of the charge on the volumes of nanoscale cages (carbon and boron-nitride fullerenes, Ge9z- Zintl ions, and cubic Fe4S4 clusters)статья
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: 19 декабря 2017 г.
- Авторы: Sabirov D.S., Zakirova A.D., Tukhbatullina A.A., Gubaydullin I.M., Bulgakov R.G.
- Журнал: RSC advances
- Том: 3
- Номер: 6
- Год издания: 2013
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 1818
- Последняя страница: 1824
- DOI: 10.1039/c2ra22404f
- Аннотация: An algorithm for the calculation of the volume of polyhedral ions has been worked out. It is based on the partition of polyhedra into disjoint simplexes (triangular pyramids). The algorithm allows us to perform state-of-the-art calculations on the volumes of carbon and boron-nitride fullerenes and their ions. The general dependence of the volume of fullerene ions on their charge has been determined and described by quadratic correlations. Upon ion formation, carbon fullerenes (C60 and C70), obeying the isolated pentagon rule, show no dependence of the volume’s change on the type of fullerene. Using this fact, we have predicted the volumes of giant C 540 fullerene ions. Our approach is applicable to cage ions of another type that has been proved by analogous calculations of the volumes of Ge9z- ions and Fe4S4 clusters of the active sites of a ferredoxin protein. The present theoretical study demonstrates that general regularity of charges and volumes of nanoscale cages exists. It should be taken into account in the design of nanodevices and nanomaterials. © 2012 The Royal Society of Chemistry.
- Добавил в систему: Сабиров Денис Шамилевич