Vibrational Spectroscopy to study organic photovoltaics
The dynamics of organic semiconductors used in organic solar cells impacts the different mechanisms involved in the solar energy conversion process. In a previous experiment, we have measured the dynamics of poly(3-hexylthiophene-2,5-diyl) (P3HT) and Phenyl-C61-butyric acid methyl ester (PCBM). Using deuterated materials to increase the signal of one of the blend material, we have observed the frustration of P3HT 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. Furthermore, we have carried out Raman spectroscopy measurements and test inelastic neutron scattering that points towards coupling between polymer and fullerene in the blend. We would like to continue the study by investigating different polymer:fullerene ratio to pinpoint the mechanisms responsible for the frustration of the polymer and plasticization of the fullerene and elucidate the coupling between polymer and fullerene in the blend. We are already carrying out molecular dynamics simulation and density function theory calculations to try to understand these observations.
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; NELSON Jenny and ZBIRI Mohamed. (2018). Vibrational Spectroscopy to study organic photovoltaics. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.9-11-1810
ILL has partnered with DataCite as the registration agency
for data persistent identifiers.