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N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry
Siberian Branch of Russian Academy of Science

The paper of NIOCh's researcher L.N. Shchegoleva  (co-author) is published in the journal  The Journal of Physical Chemistry C, 2019, 123, 46, 28058-28065   (IF 4,309

Magnetic Resonance Characteristics of Negative Polarons in Neat Poly(3-hexyl-thiophene)

V.I. Borovkov, L.N. Shchegoleva

J. Phys. Chem. C 2019, 123, 46, 28058-28065

First published: 30 October 2019


 https://doi.org/10.1021/acs.jpcc.9b08331

jpcc_9b08331.jpg

 

Abstract

Magnetic resonance characteristics of carriers of both electron spin and electric charge (polarons) in conjugated polymers are required for a deeper understanding of properties of these semiconducting materials. In poly(3-hexyl-thiophene), P3HT, which is an important material for photovoltaic applications, such information is available only for positive polarons, which are readily generated in the presence of electron acceptors via photoinduced processes. Influence of an external magnetic field on X-ray-induced delayed fluorescence from undoped P3HT and its solutions allowed us to visualize the spin interactions in the primary polaron pairs and to estimate the g-tensor components (g≈ 2.0023, g|| ≈ 2.008) for the negative charge carriers in P3HT molecules. There is evidence that in neat regioregular P3HT the g-tensor anisotropy for the polarons, migrating along polymer chains, is averaged partially due to irregularities in the polymer structure.

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