Probing dynamics in organic photovoltaics under light excitation
The dynamics of organic semiconductors used in organic photovoltaics (OPV) impacts the different mechanisms involved in the solar energy conversion process. Very little attention has been paid to the impact of light absorption on the organic semiconductor. Some experimental and computational studies evidenced that light exposure impacts the dynamics of OPV blends modulating the polymer conformation and by fullerene dimerization . We propose to study the dynamics of the model system poly(3-hexylthiophene-2,5-diyl) (P3HT) and Phenyl-C61-butyric acid methyl ester (PCBM) under light exposure. We have already measured in a previous experiment the ground state and observed 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 are further analysing the trajectories to pinpoint the mechanisms responsible for the frustration of the polymer and plasticization of the fullerene. We propose to study the impact of the light absorption on the observed frustration and plasticization.
Please note that you will need to login with your ILL credentials to download the data.
Download DataThe recommended format for citing this dataset in a research publication is in the following format:
GUILBERT Anne; Bernhard Frick; NELSON Jenny; Nicholas Siemons and ZBIRI Mohamed. (2016). Probing dynamics in organic photovoltaics under light excitation. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-04-153
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.