Please use this identifier to cite or link to this item:
https://hdl.handle.net/2440/106028
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Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Roseli, R. | - |
dc.contributor.author | Tapping, P. | - |
dc.contributor.author | Kee, T. | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | Journal of Physical Chemistry Letters, 2017; 8(13):2806-2811 | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.issn | 1948-7185 | - |
dc.identifier.uri | http://hdl.handle.net/2440/106028 | - |
dc.description | Published: June 7, 2017 | - |
dc.description.abstract | The excited states of conjugated polymers play a central role in their applications in organic solar photovoltaics. The delocalized excited states of conjugated polymers are short-lived (τ <$ 40 fs) but are imperative in the photovoltaic properties of these materials. Photoexcitation of poly(3-hexylthiophene) (P3HT) induces an excited-state absorption band but the transitions that are involved are not well understood. In this work, calculations have been performed on P3HT analogues using nonlinear response time-dependent density functional theory to show that an increase in the oligomer length correlates with the dominance of the S1 → S3 transition. Furthermore, the predicted transition energy shows an excellent agreement with experiment. The calculations also yielded results on the intramolecular charge transfer process in P3HT due to the S1 → S3 transition, providing insight into the mechanism of exciton dissociation to form charge carriers. | - |
dc.description.statementofresponsibility | Ras Baizureen Roseli, Patrick C. Tapping, and Tak W. Kee | - |
dc.language.iso | en | - |
dc.publisher | American Chemical Society | - |
dc.rights | © 2017 American Chemical Society | - |
dc.source.uri | http://dx.doi.org/10.1021/acs.jpclett.7b01053 | - |
dc.title | Origin of the excited-state absorption spectrum of polythiophene | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1021/acs.jpclett.7b01053 | - |
dc.relation.grant | http://purl.org/au-research/grants/arc/LE0989747 | - |
pubs.publication-status | Published | - |
dc.identifier.orcid | Tapping, P. [0000-0002-2359-1304] | - |
dc.identifier.orcid | Kee, T. [0000-0002-4907-4663] | - |
Appears in Collections: | Aurora harvest 8 Chemistry publications |
Files in This Item:
File | Description | Size | Format | |
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hdl_106028.pdf | Accepted Version | 18.19 MB | Adobe PDF | View/Open |
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