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Open AccessArticle

Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells

1
College of Engineering, Bay Campus, Swansea University, Swansea SA1 8EN, UK
2
Ministry of Science and Technology, Materials Research Directorate, Baghdad, Iraq
3
Scientific Computing Department, STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, UK
*
Author to whom correspondence should be addressed.
Energies 2020, 13(18), 4637; https://doi.org/10.3390/en13184637
Received: 31 July 2020 / Revised: 1 September 2020 / Accepted: 3 September 2020 / Published: 7 September 2020
(This article belongs to the Special Issue Next Generation of Dye-Sensitized Solar Cells)
Most organic dyes synthesized for dye-sensitized solar cells (DSC) use a single linker group to bind to the metal oxide photo-anode. Here we describe the synthesis and testing of two new triphenylamine dyes containing either two carboxylic acids 5-[2-(4-diphenylamino-phenyl)-vinyl]-isophthalic acid (10) or two cyanoacrylic acids (2Z, 2′Z)-3, 3′-(5-((E)-4-(diphenylamino) styryl)-1, 3-phenylene) bis (2-cyanoacrylic acid) (8) as linker groups. Full characterization data are reported for these dyes and their synthetic intermediates. DSC devices have been prepared from these new dyes either by passive or fast dyeing and the dyes have also been tested in co-sensitized DSC devices leading to a PCE (η = 5.4%) for the double cyanoacrylate linker dye (8) co-sensitized with D149. The dye:TiO2 surface interactions and dye excitations are interpreted using three modelling methods: density functional theory (at 0 K); molecular dynamics (at 298 K); time dependent density functional theory. The modelling results show the preferred orientation of both dyes on an anatase (1 0 1) TiO2 surface to be horizontal, and both the simulated and experimental absorption spectra of the dye molecules indicate a red shifted band for (8) compared to (10). This is in line with broader light harvesting and Jsc for (8) compared to (10). View Full-Text
Keywords: light harvesting; co-sensitization; surface engineering; synthesis; solar energy; atomistic modelling; DFT; MD; TDDFT light harvesting; co-sensitization; surface engineering; synthesis; solar energy; atomistic modelling; DFT; MD; TDDFT
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MDPI and ACS Style

Holliman, P.J.; Mohsen, M.; Connell, A.; Kershaw, C.P.; Meza-Rojas, D.; Jones, E.W.; Geatches, D.; Sen, K.; Hsiao, Y.-W. Double Linker Triphenylamine Dyes for Dye-Sensitized Solar Cells. Energies 2020, 13, 4637.

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