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dc.contributor.authorKirkpatrick, James
dc.contributor.authorNielsen, Christian B.
dc.contributor.authorZhang, Weimin
dc.contributor.authorBronstein, Hugo
dc.contributor.authorAshraf, R. Shahid
dc.contributor.authorHeeney, Martin
dc.contributor.authorMcCulloch, Iain
dc.date.accessioned2016-02-25T12:32:53Z
dc.date.available2016-02-25T12:32:53Z
dc.date.issued2012-01-09
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.
dc.identifier.issn1614-6832
dc.identifier.doi10.1002/aenm.201100622
dc.identifier.urihttp://hdl.handle.net/10754/597420
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.
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.
dc.publisherWiley
dc.titleA Systematic Approach to the Design Optimization of Light-Absorbing Indenofluorene Polymers for Organic Photovoltaics
dc.typeArticle
dc.identifier.journalAdvanced Energy Materials
dc.contributor.institutionUniversity of Oxford, Oxford, United Kingdom
dc.contributor.institutionImperial College London, London, United Kingdom
dc.contributor.institutionGuangxi University for Nationalities, Nanning, China
kaust.grant.numberKUK-C1-013-04
dc.date.published-online2012-01-09
dc.date.published-print2012-02


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