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Graphene-based acceptor molecules for organic photovoltaic cells: a predictive study identifying high modularity and morphological stability†
D. Bégué,E. Guille,S. Metz,M. A. Arnaud,H. Santos Silva,M. Seck,P. Fayon,C. Dagron-Lartigau,P. Iratcabal,R. C. Hiorns
RSC Advances Pub Date : 01/25/2016 00:00:00 , DOI:10.1039/C5RA25531G
Abstract

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.

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