Influence of the aggregate state on band structure and optical properties of C60 computed with different methods

C60 and C60 based molecules are efficient acceptors and electron transport layers for planar perovskite solar cells. While properties of these molecules are well studied by ab initio methods, those of solid C60, specifically its optical absorption properties, are not. We present a combined density f...

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Veröffentlicht in:The Journal of chemical physics 2018-05, Vol.148 (20), p.204301-204301
Hauptverfasser: Pal, Amrita, Arabnejad, Saeid, Yamashita, Koichi, Manzhos, Sergei
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Sprache:eng
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