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Printing Fabrication of Bulk Heterojunction Solar Cells and In Situ Morphology Characterization
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A new multiscale modeling method for simulating the loss processes in polymer solar cell nanodevices.

Anton Pershin1, Sergii Donets, Stephan A Baeurle

  • 1Department of Chemistry and Pharmacy, Institute of Physical and Theoretical Chemistry, University of Regensburg, D-93040 Regensburg, Germany.

The Journal of Chemical Physics
|May 23, 2012
PubMed
Summary

New computer simulations reveal that structural defects and charge recombination significantly reduce polymer solar cell efficiency. Optimizing nanostructure design and charge injection can improve photovoltaic performance.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Photovoltaics

Background:

  • Polymer solar cells (PSCs) exhibit lower power conversion efficiencies (7-8%) compared to inorganic counterparts.
  • Exciton and charge carrier loss mechanisms significantly hinder PSC performance.
  • Understanding nanoscale phenomena is crucial for designing efficient photovoltaic materials.

Purpose of the Study:

  • To introduce a novel computer simulation technique for analyzing nanoscale photovoltaic processes.
  • To investigate the impact of structural characteristics and device conditions on PSC performance.
  • To identify strategies for optimizing optoelectronic properties and enhancing PSC efficiency.

Main Methods:

  • Coupling a mesoscopic field-theoretic method with a dynamic Monte Carlo algorithm.
  • Modeling elementary photovoltaic processes, including exciton generation and charge transport.
  • Analyzing nanostructured polymer blends under various device and circuit conditions.

Main Results:

  • Discontinuous percolation paths create "dead ends," leading to charge carrier losses via recombination.
  • Defects cause low exciton dissociation efficiency due to charge accumulation, impeding charge generation.
  • Both charge carrier and exciton losses drastically reduce internal quantum efficiency.
  • Charge injection critically influences how defects affect overall solar cell performance.

Conclusions:

  • The developed simulation technique provides insights into nanoscale loss mechanisms in PSCs.
  • Optimizing nanostructure design to ensure continuous percolation paths is essential.
  • Minimizing defects and controlling charge injection are key to improving PSC efficiency.