Groves, C. and Kimber, R.G.E. and Walker, A.B. (2010) 'Simulation of the loss mechanisms in organic solar cells : a description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method.', Journal of chemical physics., 133 (14). p. 144110.
In this letter we evaluate the accuracy of the first reaction method (FRM) as commonly used to reduce the computational complexity of mesoscale Monte Carlo simulations of geminate recombination and the performance of organic photovoltaic devices. A wide range of carrier mobilities, degrees of energetic disorder, and applied electric field are considered. For the ranges of energetic disorder relevant for most polyfluorene, polythiophene, and alkoxy poly(phenylene vinylene) materials used in organic photovoltaics, the geminate separation efficiency predicted by the FRM agrees with the exact model to better than 2%. We additionally comment on the effects of equilibration on low-field geminate separation efficiency, and in doing so emphasize the importance of the energy at which geminate carriers are created upon their subsequent behavior.
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|Publisher Web site:||http://dx.doi.org/10.1063/1.3483603|
|Publisher statement:||Copyright 2010 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Groves, C. and Kimber, R.G.E. and Walker, A.B. (2010) 'Simulation of the loss mechanisms in organic solar cells : a description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method.', Journal of chemical physics., 133 (14). p. 144110 and may be found at http://dx.doi.org/10.1063/1.3483603|
|Date accepted:||No date available|
|Date deposited:||09 March 2011|
|Date of first online publication:||October 2010|
|Date first made open access:||No date available|
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