Startseite Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells
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Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells

  • Saravanakumaran TamilSelvan EMAIL logo , Annamalai Prakasam , Ganesan Venkatesh , Chennappan Kamal , Yohannan Sheena Mary , Sharfudeen Parveen Banu , Palanisamy Vennila und Yohannan Shyma Mary
Veröffentlicht/Copyright: 26. November 2020
Zeitschrift für Physikalische Chemie
Aus der Zeitschrift Zeitschrift für Physikalische Chemie Band 235 Heft 10

Abstract

A number of organic dye compounds is developed and used as dye-sensitized solar cells in order to produce cost-effective devices and enhance cell performance. In this aspect, phenothiazine based organic dye compounds such as (E)-3-(7-bromo-10-phenyl-10H-phenothiazine-3-yl) acrylic acid and (E)-3-(7-bromo-10-phenyl-10H-phenothiazine-3-yl)-2-cyanoacrylic acid have been synthesized. The synthesized dye compounds have been characterized through Fourier-transform infrared, Fourier-transform Raman and nuclear magnetic resonance spectroscopic method. The Ultraviolet–Visible spectra were recorded and electronic features were discussed with the theoretically calculated bands using time-dependent density functional theory. Frontier molecular orbital, natural bond orbital and non-linear optical properties have been calculated for these compounds using density functional theory. The photosensitization properties such as light harvesting efficiency and electron injection driving force (∆G inject) have also been discussed.

Keywords: density functional theory; dye-sensitized solar cell; geometrical parameters; phenothiazine; vibrational spectra
Corresponding author: Saravanakumaran TamilSelvan, Department of Physics, Thiruvalluvar Government Arts College, Rasipuram 638052, India, E-mail:

Acknowledgements

This research did not receive any specific funding.

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zpch-2020-1732).

Received: 2020-08-08
Accepted: 2020-11-12
Published Online: 2020-11-26
Published in Print: 2021-10-26

© 2020 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. Original Papers
  3. Synergistic impact of cellulose nanocrystals with multiple resins on thermal and mechanical behavior
  4. Physicochemical and instrumental characterization of rice husk and its potential use as a low cost adsorbent for mutagenic dye bromophenol blue
  5. The effect of temperature on the structural, dielectric and magnetic properties of cobalt ferrites synthesized via hydrothermal method
  6. Synergetic metronidazole removal from aqueous solutions using combination of electro-persulfate process with magnetic Fe3O4@AC nanocomposites: nonlinear fitting of isotherms and kinetic models
  7. Effective removal of tetracycline from water by batch method using activated carbon, magnetic carbon nanocomposite, and membrane hybrid technology
  8. Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells
  9. Original Papers
  10. Biodegradation and decolorization of textile dyes by bacterial strains: a biological approach for wastewater treatment
https://doi.org/10.1515/zpch-2020-1732
Schlagwörter für diesen Artikel
density functional theory; dye-sensitized solar cell; geometrical parameters; phenothiazine; vibrational spectra

Artikel in diesem Heft

  1. Frontmatter
  2. Original Papers
  3. Synergistic impact of cellulose nanocrystals with multiple resins on thermal and mechanical behavior
  4. Physicochemical and instrumental characterization of rice husk and its potential use as a low cost adsorbent for mutagenic dye bromophenol blue
  5. The effect of temperature on the structural, dielectric and magnetic properties of cobalt ferrites synthesized via hydrothermal method
  6. Synergetic metronidazole removal from aqueous solutions using combination of electro-persulfate process with magnetic Fe3O4@AC nanocomposites: nonlinear fitting of isotherms and kinetic models
  7. Effective removal of tetracycline from water by batch method using activated carbon, magnetic carbon nanocomposite, and membrane hybrid technology
  8. Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells
  9. Original Papers
  10. Biodegradation and decolorization of textile dyes by bacterial strains: a biological approach for wastewater treatment
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