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Pershin, Anton ; Donets, Sergii ; Baeurle, Stephan A.

A new multiscale modeling method for simulating the loss processes in polymer solar cell nanodevices

Pershin, Anton, Donets, Sergii and Baeurle, Stephan A. (2012) A new multiscale modeling method for simulating the loss processes in polymer solar cell nanodevices. Journal of Chemical Physics 136, p. 194102.

Date of publication of this fulltext: 23 Oct 2012 06:33
Article
DOI to cite this document: 10.5283/epub.26498


Abstract

The photoelectric power conversion efficiency of polymer solar cells is till now, compared to conventional inorganic solar cells, still relatively low with maximum values ranging from 7% to 8%. This essentially relates to the existence of exciton and charge carrier loss phenomena, reducing the performance of polymer solar cells significantly. In this paper we introduce a new computer simulation ...

The photoelectric power conversion efficiency of polymer solar cells is till now, compared to conventional inorganic solar cells, still relatively low with maximum values ranging from 7% to 8%. This essentially relates to the existence of exciton and charge carrier loss phenomena, reducing the performance of polymer solar cells significantly. In this paper we introduce a new computer simulation technique, which permits to explore the causes of the occurrence of such phenomena at the nanoscale and to design new photovoltaic materials with optimized opto-electronic properties. Our approach consists in coupling a mesoscopic field-theoretic method with a suitable dynamic Monte Carlo algorithm, to model the elementary photovoltaic processes. Using this algorithm, we investigate the influence of structural characteristics and different device conditions on the exciton generation and charge transport efficiencies in case of a novel nanostructured polymer blend. More specifically, we find that the disjunction of continuous percolation paths leads to the creation of dead ends, resulting in charge carrier losses through charge recombination. Moreover, we observe that defects are characterized by a low exciton dissociation efficiency due to a high charge accumulation, counteracting the charge generation process. From these observations, we conclude that both the charge carrier loss and the exciton loss phenomena lead to a dramatic decrease in the internal quantum efficiency. Finally, by analyzing the photovoltaic behavior of the nanostructures under different circuit conditions, we demonstrate that charge injection significantly determines the impact of the defects on the solar cell performance. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4712622]



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Details

Item typeArticle
Journal or Publication TitleJournal of Chemical Physics
Publisher:AMER INST PHYSICS
Open Access Type:Alliance-/National licence
Place of Publication:MELVILLE
Volume:136
Page Range:p. 194102
Date15 May 2012
InstitutionsChemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle
Identification Number
ValueType
10.1063/1.4712622DOI
Classification
NotationType
88.40.hjPACS
88.40.jrPACS
KeywordsACCEPTOR DIBLOCK COPOLYMERS; BLOCK-COPOLYMERS; PHOTOVOLTAIC CELLS; CONJUGATED POLYMERS; CHARGE GENERATION; THIN-FILMS; MORPHOLOGY; DONOR; ENERGY; BLENDS;
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-264983
Item ID26498

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