Untangling the isotopic effects of deuteration on the optoelectronic properties of conducting polymers
- ORNL
- Argonne National Laboratory (ANL)
The attractive optoelectronic properties of conducting polymers depend sensitively upon intra- and inter-polymer chain interactions, and therefore new methods to manipulate these interactions are continually being pursued. Here, we report a study of the isotopic effects of deuterium substitution on the structure, morphology, and optoelectronic properties of regioregular poly(3-hexylthiophene)s (P3HT) with an approach that combines the synthesis of deuterated materials, optoelectronic properties measurements, theoretical simulation, and neutron scattering. Selective substitutions of deuterium on the backbone or side-chains of P3HT result in distinct optoelectronic responses in P3HT/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) photovoltaics. Specifically, the weak non-covalent intermolecular interactions induced by the main-chain deuteration are shown to change the film crystallinity and morphology of P3HT/PCBM blends, and consequently reduce the short circuit current. However, decreased electronic coupling, the formation of a charge transfer state, and increased electron-phonon coupling resulting from side chain deuteration are shown to induce a remarkable reduction in open circuit voltage.
- Research Organization:
- Oak Ridge National Laboratory (ORNL); Center for Nanophase Materials Sciences (CNMS); Spallation Neutron Source
- Sponsoring Organization:
- SC USDOE - Office of Science (SC)
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 1116486
- Journal Information:
- Nature Communications, Journal Name: Nature Communications Vol. 5
- Country of Publication:
- United States
- Language:
- English
Similar Records
Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides
Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections