Palestrante: Thiago Branquinho de Queiroz (UFABC)
Título: Design and Characterization of small molecular systems for photo-induced charge separation
Resumo:
Donor-acceptor molecular systems with small acceptor species (non-fullerenes of the Y-family) have achieved impressive results in photovoltaic applications, such as high efficiency and durability. In this talk I will show how theoretical predictions from quantum mechanical approaches can guide the design of small molecular systems for photo-induced charge separation. We show some prominent candidates that mimic the Y6-PM6 system and as example we present the design of a naphthalene diimide with phenothiazine derivatives and, for the chosen system, we show that electrical properties under illumination are greatly improved. We will use this molecular system to discuss obscure mechanisms of photoinduced charge separation. In particular, the dielectric constant of the system changes considerably with illumination, providing us important insights to understand the process.
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