Anisotropy of polarizability of fullerene higher adducts for assessing the efficiency of their use in organic solar cellsстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 19 декабря 2017 г.
Аннотация:Currently, the purified higher C60 fullerene adducts come into use as electron-acceptor materials in organic solar cells. As known, the number of regioisomeric structures grows up rapidly with the increase of the number of addends in C60 derivatives. To make the computational description of their diversity, an accurate quantum chemical investigation of anisotropy of polarizability of C60 higher adducts has been performed by the modern density functional theory method. The correlation between the calculated dihydronaphthyl-C60 bisadducts anisotropies and the key output parameters of organic solar cells, based on them, has been found. The data on the higher fullerene adducts anisotropy may be useful to search for new fullerene-based electon-acceptor materials for organic solar cells.