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  • Title: Graphene nanoribbons as low band gap donor materials for organic photovoltaics: quantum chemical aided design.
    Author: Osella S, Narita A, Schwab MG, Hernandez Y, Feng X, Müllen K, Beljonne D.
    Journal: ACS Nano; 2012 Jun 26; 6(6):5539-48. PubMed ID: 22631451.
    Abstract:
    Graphene nanoribbons (GNRs) are strips of graphene cut along a specific direction that feature peculiar electronic and optical properties owing to lateral confinement effects. We show here by means of (time-dependent) density functional theory calculations that GNRs with properly designed edge structures fulfill the requirements in terms of electronic level alignment with common acceptors (namely, C(60)), solar light harvesting, and singlet-triplet exchange energy to be used as low band gap semiconductors for organic photovoltaics.
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