Jump to main content
Jump to site search

Issue 43, 2017
Previous Article Next Article

Investigation of the minimum driving force for dye regeneration utilizing model squaraine dyes for dye-sensitized solar cells

Author affiliations

Abstract

Combined theoretical and experimental approaches were implemented to design model far-red sensitive unsymmetrical squaraine dyes in order to estimate the minimum energy barrier required for dye regeneration. Our logical molecular design indicated that it is possible to have a fine control on the energetics within 0.2 eV only by the judicious selection of substituents and alkyl chain length keeping the main π-molecular framework the same. The utilization of the LSDA functional under TD-DFT calculations offered an effective and economical computational method for the reliable prediction of the energetics as well as the absorption maximum of the sensitizers. Among the designed dyes under investigation, SQ-75 exhibited the best photovoltaic performance, having a short-circuit current density of 10.92 mA cm−2, open circuit voltage of 0.57 V and a fill factor of 0.67, leading to a photoconversion efficiency of 4.25% despite having photon harvesting mainly in the far-red region. The best photon harvesting by SQ-75, even with an energy difference of only 0.12 eV between the energy of its highest occupied molecular orbital and redox energy level I/I3 electrolyte, corroborates the possibility for dye regeneration with such a small driving force.

Graphical abstract: Investigation of the minimum driving force for dye regeneration utilizing model squaraine dyes for dye-sensitized solar cells

Back to tab navigation

Publication details

The article was received on 08 Aug 2017, accepted on 11 Oct 2017 and first published on 12 Oct 2017


Article type: Paper
DOI: 10.1039/C7TA06990A
Citation: J. Mater. Chem. A, 2017,5, 22672-22682
  •   Request permissions

    Investigation of the minimum driving force for dye regeneration utilizing model squaraine dyes for dye-sensitized solar cells

    A. Pradhan, T. Morimoto, M. Saikiran, G. Kapil, S. Hayase and S. S. Pandey, J. Mater. Chem. A, 2017, 5, 22672
    DOI: 10.1039/C7TA06990A

Search articles by author

Spotlight

Advertisements