Characterization of polymer-fullerene mixtures for organic photovoltaics by systematically coarse-grained molecular simulations

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dc.contributor.authorMoule, A.
dc.contributor.authorFaller, R.
dc.contributor.authorHuang, D.
dc.date.issued2011
dc.description.abstractOrganic photovoltaic devices, which include polymer-based solar cells, show promise as cheap alternatives to silicon-based photovoltaics. Polymer solar cells use a mixture of a light-absorbing conducting polymer as the electron donor and a fullerene derivative as the electron acceptor in the solar cell's photoactive layer. The components are generally mixed together to produce a bicontinuous percolating network called a bulk heterojunction. In a previous paper [21] we developed a systematically coarse-grained simulation model of mixtures of the widely used conducting polymer poly(3-hexylthiophene) (P3HT) and the simplest fullerene C<inf>60</inf>. Here we analyze the ensuing polymer structures and mixture morphologies to understand the local structure of these devices, which provide a crucial basis for the future optimization of bulk-heterojunction morphology. © 2010 Elsevier B.V.
dc.description.statementofresponsibilityDavid M. Huang, Adam J. Moule and Roland Faller
dc.description.urihttp://www.journals.elsevier.com/fluid-phase-equilibria/
dc.identifier.citationFluid Phase Equilibria, 2011; 302(1-2):21-25
dc.identifier.doi10.1016/j.fluid.2010.07.025
dc.identifier.issn0378-3812
dc.identifier.issn1879-0224
dc.identifier.orcidHuang, D. [0000-0003-2048-4500]
dc.identifier.urihttp://hdl.handle.net/2440/68917
dc.language.isoen
dc.publisherElsevier Science BV
dc.relation.isreplacedby2440/130737
dc.relation.isreplacedbyhttp://hdl.handle.net/2440/130737
dc.rights© 2010 Elsevier B.V. All rights reserved.
dc.source.urihttps://doi.org/10.1016/j.fluid.2010.07.025
dc.subjectsolar cells
dc.subjectcoarse-grained modeling
dc.subjectmorphology
dc.subjectpolymer structure
dc.titleCharacterization of polymer-fullerene mixtures for organic photovoltaics by systematically coarse-grained molecular simulations
dc.typeJournal article
pubs.publication-statusPublished

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