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Breakdown of Polarons in Conducting Polymers at Device Field Strengths
KTH, School of Engineering Sciences (SCI), Applied Physics.
KTH, School of Engineering Sciences (SCI), Applied Physics.
KTH, School of Engineering Sciences (SCI), Applied Physics. KTH, Centres, SeRC - Swedish e-Science Research Centre. Uppsala University, Sweden.
2017 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, no 19, 10317-10324 p.Article in journal (Refereed) Published
Abstract [en]

Conducting polymers have become standard engineering materials used in many electronic devices. Despite this, there is a lack of understanding of the microscopic origin of the conducting properties, especially at realistic device field strengths. We present simulations of doped poly(p-phenylene) (PPP) using a Su-Schrieffer-Heeger (SSH) tight-binding model, with the electric field included in the Hamiltonian through a time-dependent vector potential via Peierls substitution of the phase factor. We find that polarons typically break down within less than a picosecond after the field has been switched on, already for electric fields as low as around 1.6 mV/angstrom. This is a field strength common in many flexible organic electronic devices. Our results challenge the relevance of the polaron as charge carrier in conducting polymers for a wide range of applications.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2017. Vol. 121, no 19, 10317-10324 p.
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-209310DOI: 10.1021/acs.jpcc.7b02368ISI: 000402024200008ScopusID: 2-s2.0-85020647285OAI: oai:DiVA.org:kth-209310DiVA: diva2:1111519
Funder
Swedish Research CouncilThe Royal Swedish Academy of SciencesKnut and Alice Wallenberg FoundationCarl Tryggers foundation Swedish Energy AgencySwedish Foundation for Strategic Research
Note

QC 20170619

Available from: 2017-06-19 Created: 2017-06-19 Last updated: 2017-06-29Bibliographically approved

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CiteExportLink to record
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Citation style
  • apa
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