Dynamical study of organic photovoltaics: extending the study from the ps to the ns timescale and investigating effect of composition
The dynamics of organic semiconductors used in organic photovoltaics (OPV)impacts the different mechanisms involved in the solar energy conversion process. We propose to continue our work on the dynamics of the model system poly(3-hexylthiophene-2,5-diyl)(P3HT) and Phenyl-C61-butyric acid methyl ester (PCBM) by extending the timescale from picosecond to nanosecond and also by investigating different polymer:fullerene ratios. We have already observed on the picosecond timescale that P3HT is frustrated upon blending while PCBM is plasticized by P3HT. We have carried out molecular dynamics simulation on both hydrogenated and deuterated samples and the simulations reproduce the observed trend.We have shown that the partial wrapping of P3HT around PCBM explains this behaviour on the picosecond timescale and we predict that it should impact P3HT dynamics on the nanosecond timescale. We propose to study P3HT dynamics in blend on longer timescale. We would like to study P3HT and PCBM dynamics in blend of different concentration on the picosecond timescale.
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GUILBERT Anne; FOUQUET Peter; NELSON Jenny; Nicholas Siemons and ZBIRI Mohamed. (2019). Dynamical study of organic photovoltaics: extending the study from the ps to the ns timescale and investigating effect of composition. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.9-11-1898
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