1. Home
    2. Journals
    3. Bulletin of Materials Science
    4. Volume 45
    5. All articles

    • New designed push-pull organic dyes based on the conjugated ${\pi}$-spacers for application in dye-sensitized solar cells: a computational chemistry study

      TAYEBEH HOSSEINNEJAD MARZIEH OMRANI-PACHIN

      Volume 45 Published: 4 August 2022 Article ID 0156

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/045/0156

    • Keywords

       

      Organic dyes; dye-sensitized solar cells; TD–DFT; frontier molecular orbitals; photovoltaic properties.

    • Abstract

       

      In this research, four novel push-pull organic dyes with D–${\pi}$–A structural configuration with a variety of ${\pi}$-spacer segments were investigated from the structural, electronic, optical and photovoltaic characteristics view points,using density functional theory approaches. In fact, we modulated the ${\pi}$-spacer segment by inserting C–C double and triple bonds and phenyl and anthracene units to examine the further improvements in the light-harvesting capability ofthese dyes in dye-sensitized solar cells (DSSCs). It was corroborated that using C–C triple bond in conjunction with phenyl group as ${\pi}$-linker will reduce the light-harvesting efficiency values in comparison with C–C double bond group,leading to the lower power conversion efficiency of DSSCs. In this context, we made a revision and presented a newly designed dye structure by inserting anthracene together with C–C triple bond and investigated their notable planar ${\pi}$-conjugation effect as an excellent candidate for DSSCs applications.

    • Author Affiliations

       

      TAYEBEH HOSSEINNEJAD1 MARZIEH OMRANI-PACHIN

      1. Department of Chemistry, Faculty of Physics and Chemistry, Alzahra University, Tehran 1993893973, Iran

    • Dates

       
      Published
      4 August 2022
      Manuscript received
      5 March 2022
      Accepted
      29 April 2022
      Final version published online
      4 August 2022

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2022-2023 Indian Academy of Sciences, Bengaluru.

Contact | Site index