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Branched Methoxydiphenylamine-Substituted Carbazole Derivatives for Efficient Perovskite Solar Cells: Bigger Is Not Always Better.

Povilas LuizysJianxing XiaMaryte DaskevicieneKristina KantminieneErnestas KasparaviciusHiroyuki KandaYi ZhangVygintas JankauskasKasparas RakstysVytautas GetautisMohammad Kahaj Khaja Nazeeruddin
Published in: Chemistry of materials : a publication of the American Chemical Society (2021)
A set of novel branched molecules bearing a different number of 3,6-bis(4,4'-dimethoxydiphenylamino)carbazole-based (Cz-OMeDPA) periphery arms linked together by aliphatic chains have been developed, and their performance has been tested in perovskite solar cells (PSCs). Electrical and photovoltaic properties have been evaluated with respect to the number of Cz-OMeDPA moieties and the nature of the linking aliphatic chain. The isolated compounds possess sufficient thermal stability and are amorphous having high glass-transition temperatures (>120 °C) minimizing the risk of direct layer crystallization. The highest hole-drift mobility of μ0 = 3.1 × 10-5 cm2 V-1 s-1 is comparable to that of the reference standard spiro-OMeTAD (4.1 × 10-5 cm2 V-1 s-1) under identical conditions. Finally, PSCs employing two new HTMs (2Cz-OMeDPA and 3Cz-OMeDPA-OH) bearing two and three substituted carbazole chromophores, linked by an aliphatic chain, show a performance of around 20%, which is on par with devices using spiro-OMeTAD and demonstrates slightly enhanced device stability.
Keyphrases
  • perovskite solar cells
  • molecular docking
  • ionic liquid
  • structure activity relationship
  • solar cells