Graphene-based acceptor molecules for organic photovoltaic cells: A predictive study identifying high modularity and morphological stability

Didier Bégué (1) , Emilie Guille (1) , S. Metz , Marc Alexandre Arnaud (1) , Hugo Santos Silva (1) , M. Seck (2) , Pierre Fayon , Christine Lartigau-Dagron (1) , Pierre Iratcabal (1) , Roger C. Hiorns (1)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux
2 Laboratoire de Physiologie, explorations fonctionnelles, physiologiques et de biologie appliquée au sport

Ideal donor:acceptor pairs are required to improve organic photovoltaic lifetimes and efficiencies. Here an idealized donor:acceptor for organic solar cells is predicted. Circular and triangular graphene-based hexabenzocoronenes are shown, in conjunction with the energetically well-placed poly(3-oxypentylthiophene), to provide requisite HOMO/LUMO levels for efficient charge transfer through columnar structures and hole/electron extraction. Circular hexabenzocoronenes are furthermore adaptable to energy-level modulation by targeted substitutions.

Mots clés: Photoelectrochemical cells; Organic solar cells; Photovoltaic cells; Solar cells; Acceptor molecules; Charge transfer; Columnar structures; Graphene; Morphological stability; Organic photovoltaic cells; Organic photovoltaics

Domaines: Chimie

Didier Bégué, Emilie Guille, S. Metz, Marc Alexandre Arnaud, Hugo Santos Silva, et al.. Graphene-based acceptor molecules for organic photovoltaic cells: A predictive study identifying high modularity and morphological stability. RSC Advances, 2016, 6 (17), pp.13653-13656. ⟨10.1039/c5ra25531g⟩. ⟨hal-01494780⟩