Universität zu Köln

Wang, Suhao ORCID: 0000-0002-6295-7639, Fazzi, Daniele ORCID: 0000-0002-8515-4214, Puttisong, Yuttapoom ORCID: 0000-0002-9690-6231, Jafari, Mohammad J., Chen, Zhihua, Ederth, Thomas, Andreasen, Jens W., Chen, Weimin M., Facchetti, Antonio and Fabiano, Simone ORCID: 0000-0001-7016-6514 (2019). Effect of Backbone Regiochemistry on Conductivity, Charge Density, and Polaron Structure of n-Doped Donor-Acceptor Polymers. Chem. Mat., 31 (9). S. 3395 - 3407. WASHINGTON: AMER CHEMICAL SOC. ISSN 1520-5002

Full text not available from this repository.

Abstract

We investigated the influence of backbone regiochemistry on the conductivity, charge density, and polaron structure in the widely studied n-doped donor-acceptor polymer poly[N,N'-bis(2-octyldodecyl)-1,4,5,8-naphthalenediimide-2,6-diyl]-alt-5,5'-(2,2'-bithiophene) [P-(NDI2OD-T2)]. In contrast to classic semicrystalline polymers such as poly(3-hexylthiophene) (P3HT), the regioirregular (RI) structure of the naphthalenediimide (NDI)-bithiophene (T2) backbone does not alter the intramolecular steric demand of the chain versus the regioregular (RR) polymer, yielding RI-P(NDI2OD-T2) with similar energetics and optical features as its RR counterpart. By combining the electrical, UV-vis/infrared, X-ray diffraction, and electron paramagnetic resonance data and density functional theory calculations, we quantitatively characterized the conductivity, aggregation, crystallinity, and charge density, and simulated the polaron structures, molecular vibrations, and spin density distribution of RR-/RI-P(NDI2OD-T2). Importantly, we observed that RI-P(NDI2OD-T2) can be doped to a greater extent compared to its RR counterpart. This finding is remarkable and contrasts benchmark P3HT, allowing us to uniquely study the role of regiochemistry on the charge-transport properties of n-doped donor-acceptor polymers.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Wang, Suhao UNSPECIFIED orcid.org/0000-0002-6295-7639 UNSPECIFIED Fazzi, Daniele UNSPECIFIED orcid.org/0000-0002-8515-4214 UNSPECIFIED Puttisong, Yuttapoom UNSPECIFIED orcid.org/0000-0002-9690-6231 UNSPECIFIED Jafari, Mohammad J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Chen, Zhihua UNSPECIFIED UNSPECIFIED UNSPECIFIED Ederth, Thomas UNSPECIFIED UNSPECIFIED UNSPECIFIED Andreasen, Jens W. UNSPECIFIED UNSPECIFIED UNSPECIFIED Chen, Weimin M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Facchetti, Antonio UNSPECIFIED UNSPECIFIED UNSPECIFIED Fabiano, Simone UNSPECIFIED orcid.org/0000-0001-7016-6514 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-148224
DOI:	10.1021/acs.chemmater.9b00558
Journal or Publication Title:	Chem. Mat.
Volume:	31
Number:	9
Page Range:	S. 3395 - 3407
Date:	2019
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1520-5002
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Physical Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language TRANSPORT; COPOLYMER; AGGREGATION Multiple languages Chemistry, Physical; Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14822