Put Your Backbone into It: Excited-State Structural Relaxation of PffBT4T-2DT Conducting Polymer in Solution

Dantanarayana, Varuni; Fuzell, Jack; Nai, Dingqi; Jacobs, Ian E.; Yan, He; Faller, Roland; Larsen, Delmar; Moule, Adam J.

doi:10.1021/acs.jpcc.8b01356

Put Your Backbone into It: Excited-State Structural Relaxation of PffBT4T-2DT Conducting Polymer in Solution

Journal Article · Fri Feb 23 00:00:00 EST 2018 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b01356· OSTI ID:1539253

Dantanarayana, Varuni ^[1]; Fuzell, Jack ^[2]; Nai, Dingqi ^[2]; ^[2]; ^[3]; ^[2]; ^[2]; Moule, Adam J. ^[2]

Univ. of California, Davis, CA (United States); University of California-Davis
Univ. of California, Davis, CA (United States)
Hong Kong Univ. of Science and Technology (HKUST) (Hong Kong)

Conformational and energetic disorder in organic semiconductors reduces charge and exciton transport because of the structural defects, thus reducing the efficiency in devices such as organic photovoltaics and organic light-emitting diodes. The main structural heterogeneity is because of the twisting of the polymer backbone that occurs even in polymers that are mostly crystalline. Here, we explore the relationship between polymer backbone twisting and exciton delocalization by means of transient absorption spectroscopy and density functional theory calculations. We study the PffBT4T-2DT polymer which has exhibited even higher device efficiency with nonfullerene acceptors than the current record breaking PCE11 polymer. We determine the driving force for planarization of a polymer chain caused by excitation. The methodology is generally applicable and demonstrates a higher penalty for nonplanar structures in the excited state than in the ground state. This study highlights the morphological and electronic changes in conjugated polymers that are brought about by excitation.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of California, Davis, CA (United States)

Sponsoring Organization:: Hong Kong Innovation and Technology Commission; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0010419

OSTI ID:: 1539253

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 12 Vol. 122; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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