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Theoretical study on p type dyes with different π linkers for dye sensitized solar cells

X . H. LI1, W. Y. AN2, Q . Y Xia3,* , X. H. JU2,*


  1. College of Physics and Engineering, Henan University of Science and Technology, Luoyang, 471003, China
  2. Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China
  3. School of Chemistry and Chemical Engineering, Linyi University, 276005 Linyi, P. R. China


T he triphenylamine based dyes were designed as the p type sensitizers . The absorption spectra, electronic transition s , electronic structures of the sensitizers were systematically studied. T he absorption bands of O2 C and O2 D are red shift ed and have broad band in the visible light area at 524 nm and 559 nm, respectively , compared to their prototype O2 . Both Δ G inj and Δ G reg values for all the designed dyes are in range of ‒3.04 to ‒4.13 eV and ‒1.08 to ‒2.68 eV, respectively, which is good for hole injectio n and dye regeneration. The p ositive Δ G CR values could reduce charge recombination which is benefit for charge transferring from the donor to the acceptor. Importantly, dye s O2 C and O2 D are predicted to be promising candidates for the p type sensitizers in comparison with prototype O2.


Dye sensitized solar cells (DSSCs), T riphenylamine based D π A dye, p Type sensitizers, Density functional theory, Absorption spectrum.

Submitted at: Jan. 31, 2019
Accepted at: Feb. 17, 2020


X . H. LI, W. Y. AN, Q . Y Xia, X. H. JU, Theoretical study on p type dyes with different π linkers for dye sensitized solar cells, Journal of Optoelectronics and Advanced Materials Vol. 22, Iss. 1-2, pp. 37-41 (2020)