Computational modeling of plasmon-enhanced light absorption in a multicomponent dye sensitized solar cell

Hanning Chen, Martin G. Blaber, Stacey D. Standridge, Erica J. Demarco, Joseph T Hupp, Mark A Ratner, George C Schatz

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

Plasmon-enhanced light absorption in a multicomponent Ag/Ag 2O/TiO 2/N3 dye-sensitized solar cell (DSSC) core-shell nanostructure is studied using a hybrid quantum mechanics/classical electrodynamics (QM/ED) methodology in which the Ag/Ag 2O/TiO 2 nanostructure is treated by the finite-difference time-domain method and the N3 dye is treated by real-time time-dependent density functional theory. As part of this modeling, the undetermined thickness of the nonplasmonic Ag 2O layer on the Ag/Ag 2O/TiO 2 particle was estimated by comparing the computed plasmon wavelength with experimental results. Also, absorption cross sections for the N3 dye were calculated for different locations of the dye on the TiO 2 surface. The spatially averaged absorption cross sections for different thicknesses of TiO 2 were evaluated and used to estimate the relative incident photon conversion efficiency. Encouragingly, it is found that the QM/ED calculations can well reproduce the factor of ∼10 experimental extinction difference spectrum and the photocurrent enhancement factor associated with DSSCs. Our studies demonstrate that the hybrid QM/ED methodology provides a useful guide to the systematic design of plasmon-enhanced DSSCs for achieving optimum photovoltaic efficiency.

Original languageEnglish
Pages (from-to)10215-10221
Number of pages7
JournalJournal of Physical Chemistry C
Volume116
Issue number18
DOIs
Publication statusPublished - May 10 2012

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Quantum theory
Electrodynamics
electromagnetic absorption
Light absorption
Coloring Agents
Dyes
solar cells
dyes
electrodynamics
quantum mechanics
Nanostructures
absorption cross sections
Finite difference time domain method
methodology
Photocurrents
Conversion efficiency
Density functional theory
Photons
finite difference time domain method
photocurrents

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Computational modeling of plasmon-enhanced light absorption in a multicomponent dye sensitized solar cell. / Chen, Hanning; Blaber, Martin G.; Standridge, Stacey D.; Demarco, Erica J.; Hupp, Joseph T; Ratner, Mark A; Schatz, George C.

In: Journal of Physical Chemistry C, Vol. 116, No. 18, 10.05.2012, p. 10215-10221.

Research output: Contribution to journalArticle

Chen, Hanning ; Blaber, Martin G. ; Standridge, Stacey D. ; Demarco, Erica J. ; Hupp, Joseph T ; Ratner, Mark A ; Schatz, George C. / Computational modeling of plasmon-enhanced light absorption in a multicomponent dye sensitized solar cell. In: Journal of Physical Chemistry C. 2012 ; Vol. 116, No. 18. pp. 10215-10221.
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