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Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study

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Published/Copyright: December 20, 2018
Zeitschrift für Physikalische Chemie
From the journal Zeitschrift für Physikalische Chemie Volume 233 Issue 9

Abstract

In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH3)2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10−30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH3)2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH3)2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.

Keywords: absorption spectra and electron injection rate; density functional theory; Hyperpolarizability; triphenylamine

Acknowledgement

The author is thankful to the learned referees for their useful and critical comments, which improved the quality of the manuscript.

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Received: 2018-10-07
Accepted: 2018-11-30
Published Online: 2018-12-20
Published in Print: 2019-08-27

©2019 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Structural and Optical Properties of Multilayer Heterostructure of CdTe/CdSe Thin Films
  3. Thermal and Rheological Study of Nanocomposites, Reinforced with Bi-Phase Ceramic Nanoparticles
  4. Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study
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https://doi.org/10.1515/zpch-2018-1314
Keywords for this article
absorption spectra and electron injection rate; density functional theory; Hyperpolarizability; triphenylamine

Articles in the same Issue

  1. Frontmatter
  2. Structural and Optical Properties of Multilayer Heterostructure of CdTe/CdSe Thin Films
  3. Thermal and Rheological Study of Nanocomposites, Reinforced with Bi-Phase Ceramic Nanoparticles
  4. Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study
  5. Nickel Oxide-incorporated Polyaniline/Polyvinyl Alcohol Composite for Enhanced Antibacterial Activity
  6. A Comparative Sorption Study of Ni (II) form Aqueous Solution Using Silica Gel, Amberlite IR-120 and Sawdust
  7. Photoluminescence, Third-Order Nonlinear Optical and DFT Studies of Hydrazonium L-Tartrate – Combined Experimental and Theoretical Studies
  8. Green Synthesis of Metal Nanoparticles and their Applications in Different Fields: A Review
  9. Fabrication and Evaluation of Cellulose-Alginate-Hydroxyapatite Beads for the Removal of Heavy Metal Ions from Aqueous Solutions
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