DISTINGUISHING THE INFLUENCE OF STRUCTURAL AND ENERGETIC DISORDER ON ELECTRON TRANSPORT IN FULLERENE MULTI-ADDUCTS

Thomas D. Anthopoulos^a, Jenny Nelson^a, John Labram^a, Arthur Losquin^a, Samuel Foster^a, Florian Steiner^a, Jarvist M. Frost^a

^aImperial College London, United Kingdom, South Kensington, Londres, Reino Unido, United Kingdom

International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics 2015 (HOPV15)

Roma, Italy, 2015 May 11th - 13th

Organizer: Filippo De Angelis

Oral, Florian Steiner, presentation 133
Publication date: 5th February 2015

Fullerene derivatives are of interest for solar cells and other applications on account of their high electron mobility and strong acceptor strength. In particular, multiple adducts of fullerenes are scientifically interesting as they offer the possibility of modulating energy levels without changing chemical structure, simply by varying the number and type of side chains. We address the effect of fullerene adduct type on electron mobility. Simulating electronic properties of experimentally relevant size of molecular assemblies is difficult from an atomistic perspective because of computer time constraints. In this work [1], we overcome those constraints by developing and applying a coarse grained approach to the film growth, which includes disorder due to multiple isomers. The method is capable of distinguishing clearly between the effects of disorder in molecular packing and disorder in the chemical structure on charge transport. We show that the low electron mobilities observed for higher adducts result primarily from energetic disorder due to multiple isomers, rather than from the influence of side chains on molecular packing. Our results are consistent with experimental time-of-flight and field-effect transistor measurements. Consequently, we suggest that pure isomeric samples of higher fullerene adducts should enable higher solar cell efficiencies.

[1] Steiner, F.; Foster, S.; Losquin, A.; Labram, J.; Anthopoulos, T.D.; Frost, J.M.; Nelson, J. Distinguishing the influence of structural and energetic disorder on electron transport in fullerene multi-adducts. Materials Horizons 2015, 2, 113-119.

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