A Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics

Handle URI:
http://hdl.handle.net/10754/597420
Title:
A Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics
Authors:
Kirkpatrick, James; Nielsen, Christian B.; Zhang, Weimin; Bronstein, Hugo; Ashraf, R. Shahid; Heeney, Martin; McCulloch, Iain
Abstract:
The synthesis and optimization of new photovoltaic donor polymers is a time-consuming process. Computer-based molecular simulations can narrow the scope of materials choice to the most promising ones, by identifying materials with desirable energy levels and absorption energies. In this paper, such a retrospective analysis is presented of a series of fused aromatic push-pull copolymers. It is demonstrated that molecular calculations do indeed provide good estimates of the absorption energies measured by UV-vis spectroscopy and of the ionization potentials measured by photoelectron spectroscopy in air. Comparing measured photovoltaic performance of the polymer series to the trend in efficiencies predicted by computation confirms the validity of this approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Citation:
Kirkpatrick J, Nielsen CB, Zhang W, Bronstein H, Ashraf RS, et al. (2012) A Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics. Adv Energy Mater 2: 260–265. Available: http://dx.doi.org/10.1002/aenm.201100622.
Publisher:
Wiley-Blackwell
Journal:
Advanced Energy Materials
KAUST Grant Number:
KUK-C1-013-04
Issue Date:
9-Jan-2012
DOI:
10.1002/aenm.201100622
Type:
Article
ISSN:
1614-6832
Sponsors:
This work was in part carried out with financial support from SUPERGEN, EC FP7 Project X10D and EC FP7 Project ONE-P, with support from the Centre for Plastic Electronics at Imperial College and the International Collaborative Research Program of Gyeonggi-do, Korea. JK is a member of the Oxford Centre for Collaborative Applied Mathematics (OCCAM) where his work is supported by Award No. KUK-C1-013-04, made by King Abdullah University of Science and Technology.
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorKirkpatrick, Jamesen
dc.contributor.authorNielsen, Christian B.en
dc.contributor.authorZhang, Weiminen
dc.contributor.authorBronstein, Hugoen
dc.contributor.authorAshraf, R. Shahiden
dc.contributor.authorHeeney, Martinen
dc.contributor.authorMcCulloch, Iainen
dc.date.accessioned2016-02-25T12:32:53Zen
dc.date.available2016-02-25T12:32:53Zen
dc.date.issued2012-01-09en
dc.identifier.citationKirkpatrick J, Nielsen CB, Zhang W, Bronstein H, Ashraf RS, et al. (2012) A Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics. Adv Energy Mater 2: 260–265. Available: http://dx.doi.org/10.1002/aenm.201100622.en
dc.identifier.issn1614-6832en
dc.identifier.doi10.1002/aenm.201100622en
dc.identifier.urihttp://hdl.handle.net/10754/597420en
dc.description.abstractThe synthesis and optimization of new photovoltaic donor polymers is a time-consuming process. Computer-based molecular simulations can narrow the scope of materials choice to the most promising ones, by identifying materials with desirable energy levels and absorption energies. In this paper, such a retrospective analysis is presented of a series of fused aromatic push-pull copolymers. It is demonstrated that molecular calculations do indeed provide good estimates of the absorption energies measured by UV-vis spectroscopy and of the ionization potentials measured by photoelectron spectroscopy in air. Comparing measured photovoltaic performance of the polymer series to the trend in efficiencies predicted by computation confirms the validity of this approach. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.en
dc.description.sponsorshipThis work was in part carried out with financial support from SUPERGEN, EC FP7 Project X10D and EC FP7 Project ONE-P, with support from the Centre for Plastic Electronics at Imperial College and the International Collaborative Research Program of Gyeonggi-do, Korea. JK is a member of the Oxford Centre for Collaborative Applied Mathematics (OCCAM) where his work is supported by Award No. KUK-C1-013-04, made by King Abdullah University of Science and Technology.en
dc.publisherWiley-Blackwellen
dc.titleA Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaicsen
dc.typeArticleen
dc.identifier.journalAdvanced Energy Materialsen
dc.contributor.institutionUniversity of Oxford, Oxford, United Kingdomen
dc.contributor.institutionImperial College London, London, United Kingdomen
dc.contributor.institutionGuangxi University for Nationalities, Nanning, Chinaen
kaust.grant.numberKUK-C1-013-04en
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