Characterization of polymer-fullerene mixtures for organic photovoltaics by systematically coarse-grained molecular simulations
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2011
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Moule, A.
Faller, R.
Huang, D.
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Journal article
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Fluid Phase Equilibria, 2011; 302(1-2):21-25
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David M. Huang, Adam J. Moule and Roland Faller
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Organic 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.
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© 2010 Elsevier B.V. All rights reserved.