A Comparative Investigation of the Role of the Anchoring Group on Perylene Monoimide Dyes in NiO‐Based Dye‐Sensitized Solar Cells

Farré, Yoann; Maschietto, Federica; Föhlinger, Jens; Wykes, Mike; Planchat, Aurélien; Pellegrin, Yann; Blart, Errol; Ciofini, Ilaria; Hammarström, Leif; Odobel, Fabrice

doi:10.1002/cssc.201903182

Cited by 18 publications

(31 citation statements)

References 67 publications

(135 reference statements)

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“…665,666 Typically, carboxylic acid anchoring groups are used; however, until recently, there has been little research into whether or not this is the best choice. 687 Alternative anchoring groups have been proposed, including pyridine, 571,626,650,667,668 di(carboxylic acid)pyrrole, 669,670 hydroxamic acid, 671 di(carboxylic acid)triazole, 638 catechol, 622 carbodithioic acid, 622 methyl phosphonic acid, 622 acetylacetone (acac), 668,672 alkoxysilane, 188 coumarin, 673 aniline, 668 phosphonic acid, 668 hydroxyqinoline, 668 and dipicolinic acid. 668 Phosphonic acid is one of the strongest binding groups and is resistant to both acid and base, but can present some synthetic challenges.…”

Section: Sensitizersmentioning

confidence: 99%

“…687 Alternative anchoring groups have been proposed, including pyridine, 571,626,650,667,668 di(carboxylic acid)pyrrole, 669,670 hydroxamic acid, 671 di(carboxylic acid)triazole, 638 catechol, 622 carbodithioic acid, 622 methyl phosphonic acid, 622 acetylacetone (acac), 668,672 alkoxysilane, 188 coumarin, 673 aniline, 668 phosphonic acid, 668 hydroxyqinoline, 668 and dipicolinic acid. 668 Phosphonic acid is one of the strongest binding groups and is resistant to both acid and base, but can present some synthetic challenges. 668,673 Odobel et al and Gibson et al compared the charge-transfer dynamics at the dye/NiO interface for a number of anchoring groups and found that the anchoring group did not significantly influence the rates.…”

Section: Sensitizersmentioning

confidence: 99%

“…668 Phosphonic acid is one of the strongest binding groups and is resistant to both acid and base, but can present some synthetic challenges. 668,673 Odobel et al and Gibson et al compared the charge-transfer dynamics at the dye/NiO interface for a number of anchoring groups and found that the anchoring group did not significantly influence the rates. 668,673 This finding is consistent with the work of Housecroft et al who compared the benchmark dye P1 with the phosphonic acid derivative PP1.…”

Section: Sensitizersmentioning

confidence: 99%

“…668,673 Odobel et al and Gibson et al compared the charge-transfer dynamics at the dye/NiO interface for a number of anchoring groups and found that the anchoring group did not significantly influence the rates. 668,673 This finding is consistent with the work of Housecroft et al who compared the benchmark dye P1 with the phosphonic acid derivative PP1. 674 The solar cell performance of both dyes was similar, PP1: PCE = 0.054-0.069%, IPCE = 10% at l max = B500 nm; P1: PCE = 0.065-0.079%, IPCE = 13.5% at l max = 500 nm.…”

Section: Sensitizersmentioning

confidence: 99%

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Dye-sensitized solar cells strike back

et al. 2021

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Section: Sensitizersmentioning

confidence: 99%

Section: Sensitizersmentioning

confidence: 99%

Section: Sensitizersmentioning

confidence: 99%

Section: Sensitizersmentioning

confidence: 99%

See 2 more Smart Citations

Dye-sensitized solar cells strike back

et al. 2021

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“…In addition, in order to more quantitatively estimate the spatial extent of a photo‐induced charge transfer, the D CT index has been used. Developed by some of us, 48 it quantifies the length of the hole–electron separation due to a charge transfer excitation computed as the distance of the hole and electron charge density distributions baricenters (R+ and R−, respectively).

D_{CT} = (||, R_{+} - R_{-})

More details and examples of application can be found in Mashietto et al 49 and Farré et al 50 …”

Section: Computational Detailsmentioning

confidence: 99%

ModelingUV–Visspectra of low dimensional materials using electrostatic embedding: The case ofCdSe

2021

Self Cite

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We present a generalization of a self-consistent electrostatic embedding approach (SC-Ewald) devised to investigate the photophysical properties of 3D periodic materials, to systems in one-or two-dimensional (2D) reduced periodicity. In this approach, calculations are carried out on a small finite molecular cluster extracted from a periodic model, while the crystalline environment is accounted for by an array of point charges which are fitted to reproduce the exact electrostatic potential (at ground or the excited state) of the infinite periodic system. Periodic density functional theory (DFT) calculations are combined with time dependent DFT calculations to simulate absorption and emission properties of the extended system under investigation. We apply this method to compute the UV-Vis. spectra of bulk and quantumconfined 0D quantum dots and 2D extended nanoplatelets of CdSe, due to their relevance as sensitizers in solar cells technologies. The influence of the size and shape of the finite cluster model chosen in the excited state calculations was also investigated and revealed that, although the long-range electrostatics of the environment are important for the calculation of the UV-Vis, a subtle balance between short-and long-range effects exists. These encouraging results demonstrate that this self-consistent electrostatic embedding approach, when applied in different dimensions, can successfully model the photophysical properties of diverse material classes, making it an attractive low-cost alternative to far more computationally demanding electronic structure methods for excited state calculations.

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Photoelectrochemical Hydrogen Production by a Cobalt Tetrapyridyl Catalyst Using Push–Pull Dye‐Sensitized NiO Photocathodes

Bourguignon,

Moinel,

Huet

et al. 2023

Adv Energy and Sustain Res

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Herein, the synthesis and optoelectronic properties of a novel push–pull organic dye, pRK1, specifically designed for use in dye‐sensitized photocathodes for hydrogen generation, are reported. The chemical structure of this dye, which incorporates a benzothiadiazole moiety, is inspired by RK1, a dye previously reported as a photosensitizer in n‐type dye‐sensitized solar cells (DSSCs) with power conversion efficiencies above 10% and high stability. The photoelectrochemical activity for hydrogen evolution of pRK1 after grafting onto NiO photocathodes in combination with a cobalt tetrapyridyl catalyst [Co(bapbpy)(OH2)2](BF4)2 in aqueous solution is evaluated and compared with two reference dyes from the literature, RuP2‐bpy and P1. It is shown that among the three photocathodes studied in this work, NiO|pRK1 is the most efficient, producing up to 1.9 μmol cm−2 of hydrogen with a faradaic efficiency of 66%, under visible light irradiation in aqueous electrolyte at pH 4.5. pRK1 shows a turnover number (TONdye) of up to 145 during the 6 h chronoamperometric test, almost twice that of P1. This study demonstrates that the chemical structure of high performance dyes commonly used in DSSCs can be successfully modified to meet the requirements for light‐driven water splitting in dye‐sensitized photoelectrochemical cells.

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A Comparative Investigation of the Role of the Anchoring Group on Perylene Monoimide Dyes in NiO‐Based Dye‐Sensitized Solar Cells

Cited by 18 publications

References 67 publications

Dye-sensitized solar cells strike back

Dye-sensitized solar cells strike back

ModelingUV–Visspectra of low dimensional materials using electrostatic embedding: The case ofCdSe

Photoelectrochemical Hydrogen Production by a Cobalt Tetrapyridyl Catalyst Using Push–Pull Dye‐Sensitized NiO Photocathodes

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