The isotopic effects of deuteration on optoelectronic properties of conducting polymers

Shao, Ming; Keum, Jong; Chen, Jihua; He, Youjun; Chen, Wei; Browning, James F.; Jakowski, Jacek; Sumpter, Bobby G.; Ivanov, Ilia N.; Ma, Ying-Zhong; Rouleau, Christopher M.; Smith, Sean C.; Geohegan, David B.; Hong, Kunlun; Xiao, Kai

doi:10.1038/ncomms4180

The isotopic effects of deuteration on optoelectronic properties of conducting polymers

Journal Article · Thu Jan 23 23:00:00 EST 2014 · Nature Communications

DOI:https://doi.org/10.1038/ncomms4180· OSTI ID:1396299

Shao, Ming; Keum, Jong; Chen, Jihua; He, Youjun; Chen, Wei; Browning, James F.; Jakowski, Jacek; Sumpter, Bobby G.; Ivanov, Ilia N.; Ma, Ying-Zhong; Rouleau, Christopher M.; Smith, Sean C.; Geohegan, David B.; Hong, Kunlun; Xiao, Kai

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:: Argonne National Laboratory (ANL)

Sponsoring Organization:: USDOE Office of Science - Office of Basic Energy Sciences

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1396299

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 5; ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

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