Two-Dimensional Model for Polymer-Based Photovoltaic Cells: Numerical Simulations of Morphology Effects

Kristian O. Sylvester-Hvid, Sten Rettrup, Mark A Ratner

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

In this contribution, we develop and investigate a general 2D hopping model for the photovoltaic action in polymer-based thin films. The model takes a microscopic origin and accounts for the molecular photonic and electronic processes by a simple kinetic scheme that eventually leads a linearized master equation for the time evolution of the photovoltaic system. With an emphasis on the topology of blends of donor/acceptor functionalized polymers, we attempt to characterize the dependence of the short-circuit current, internal quantum efficiency, IV characteristics, and fill factors on the morphology of the blend. Several different morphologies for the polymer film are considered, and they show quite different transport and efficiency behavior (e.g., for so-called double cable structures, nearly quantitative conversion efficiencies are computed, and for other structures similar efficiencies may be found, but with short-circuit currents orders of magnitude lower). The model neglects effects such as exciton migration, the built-in potential, and interaction in the third dimension. Nontheless, significant conclusions can be drawn: in particular, we demonstrate that a viable photovoltaic system driven only by concentration gradients of charge carriers (no built-in field) is possible.

Original languageEnglish
Pages (from-to)4296-4307
Number of pages12
JournalJournal of Physical Chemistry B
Volume108
Issue number14
Publication statusPublished - Apr 8 2004

Fingerprint

Photovoltaic cells
photovoltaic cells
two dimensional models
Polymers
short circuit currents
Short circuit currents
Computer simulation
polymers
simulation
Charge carriers
Quantum efficiency
Polymer films
Excitons
Photonics
cables
Conversion efficiency
quantum efficiency
charge carriers
Cables
topology

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Two-Dimensional Model for Polymer-Based Photovoltaic Cells : Numerical Simulations of Morphology Effects. / Sylvester-Hvid, Kristian O.; Rettrup, Sten; Ratner, Mark A.

In: Journal of Physical Chemistry B, Vol. 108, No. 14, 08.04.2004, p. 4296-4307.

Research output: Contribution to journalArticle

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