Graphene nanoribbons as low band gap donor materials for organic photovoltaics: quantum chemical aided design.
basic_science · Level V
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- Record sourced from PubMed, PMID 22631451.
- Also identified by DOI 10.1021/nn301478c.
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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.
Medical subject headings
- Electric Power Supplies
- Electrodes
- Graphite
- Models, Chemical
- Nanoparticles
- Solar Energy