1Physics Department, Molecular Electronic and Optoelectronic Device Laboratory, JNV University, Jodhpur - 342 005 (Rajasthan)
2R & D Centre for Engineering and Science, Jaipur Engineering College, Kukas, Jaipur (Rajasthan)
3Chemical Technology Laboratory, Department of Chemistry, University of Patras, GR-26500, Patras, Greece
4Department of Chemistry, University of Crete, Laboratory of Bioinorganic Chemistry, Voutes Campus, P.O. Box 2208, 71003 Heraklion, Crete, Greece
5Department of Architecture and Civil Engineering, University of Bath, Bath, BA2 7AY, UK
6Deptt. of Physics, Maulana Azad National Institute of Technology (MANIT), Bhopal 462 051 (M.P.)
*E-mail: sharmagd_in@yahoo.com
Online published on 10 August, 2015.
Novel zinc porphyrin, P, with phenylenevinylene segments at two opposite meso-positions and carboxyphenyl at the other two meso-positions of the porphyrin ring P was investigated by semiempirical ZINDO, CIS and time dependent density functional theory (TD-DFT). Coordinates were adopted from the coordinates of the geometry optimized structure (using B3LYP/6-31G*) and used as a sensitizer for dye sensitized solar cells along with liquid electrolyte. Power conversion efficiencies (PCE) of 4.67% were achieved. When chenodeoxycholic acid (CDCA) was incorporated into the dye solution as a coadsorbant during the sensitization, the PCE was improved by up to 6.4%. The greater PCE has been attributed to an increase in both electron injection and charge collection efficiencies. The coadsorption with CDCA suppressed charge recombination and thus improved the photovoltage of the DSSC as confirmed from the dark current and electrochemical impedance spectroscopy measurements.
Zinc porphyrin, time dependent density functional theory, dye-sensitized solar cells, liquid electrolyte, electrochemical impedance spectra, power conversion efficiency
