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Synthesis, computational study and characterization of a 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2- one azo dye for dye-sensitized solar cell applications

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Abstract

A solution-processable 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2-one azo dye was synthesized. Analysis of measured UV-visible absorption spectrum and frontier orbitals computed using simplified time dependent density functional theory (sTDDFT) revealed its suitability for optoelectronic applications. A dye-sensitized solar cell (DSSC) was fabricated using this metal-free organic dye as a sensitizer. The photovoltaic parameters of the cell were studied under simulated AM 1.5 illumination (100 mWcm\(^{-2}\)). Comparing the photovoltaic data with a DSSC using a different member of the azo family of dyes, open circuit voltage and fill factor of the device studied in this work were found higher by 33 and 104%, respectively. The performance was also compared with the DSSCs fabricated using 49 commercial mordant dyes and open circuit photovoltage of the device studied in this work was found higher. To gain insight into its charge transport, impedance spectroscopy was performed. Impedance spectra were observed both voltage and frequency dependent.

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Acknowledgements

We acknowledge the financial support extended by the HEC Pakistan and US National Academy of Sciences, under the PAK–US Science and Technology Cooperative Program, Phase-V, Project Number 5-530/PAK-US/HEC/2013/193.

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Authors and Affiliations

  1. Faculty of Engineering Sciences, Ghulam Ishaq Khan Institute of Engineering Sciences and Technology, Topi, District Swabi, Khyber Pakhtunkhwa, 23640, Pakistan

    Ramshah Ahmad Toor, Muhammad Hassan Sayyad, Syed Afaq Ali Shah & Nazia Nasr

  2. Institute of Chemistry, University of Punjab, Lahore, 54000, Pakistan

    Fatima Ijaz & Munawar Ali Munawar

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  1. Ramshah Ahmad Toor
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  2. Muhammad Hassan Sayyad
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  3. Syed Afaq Ali Shah
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Correspondence to Muhammad Hassan Sayyad.

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Toor, R.A., Sayyad, M.H., Shah, S.A.A. et al. Synthesis, computational study and characterization of a 3-{[2,3-diphenylquinoxalin-6-yl]diazenyl}-4-hydroxy-2H-chromen-2- one azo dye for dye-sensitized solar cell applications. J Comput Electron 17, 821–829 (2018). https://doi.org/10.1007/s10825-018-1140-x

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