Theoretical design of porphyrazine derivatives as promising sensitizers for dye-sensitized solar cells

Luo, Jinhua; Li, Quan-Song; Yang, Lina; Sun, Zhu-Zhu; Li, Ze-Sheng

doi:10.1039/c4ra02204a

Cited by 34 publications

(9 citation statements)

References 67 publications

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“…The decay of an electron from the excited state to ground state is an important competing process against the process of electron injection by an excited dye molecule into the conduction band of TiO 2 , where a dye with a longer excited-state lifetime offers greater possibility of electron injection. 50 Hence, the excited-state lifetime of the studied sensitizers was calculated based on eqn (4) . It was observed that the excited-state lifetime is dependent on the structure of the sensitizer.…”

Section: Resultsmentioning

confidence: 99%

The influence of the shape and configuration of sensitizer molecules on the efficiency of DSSCs: a theoretical insight

Krishnan

Senthilkumar

2021

RSC Adv.

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Section: Resultsmentioning

confidence: 99%

The influence of the shape and configuration of sensitizer molecules on the efficiency of DSSCs: a theoretical insight

Krishnan

Senthilkumar

2021

RSC Adv.

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“…ZnPz 11 bears a cyanoacetic group, which has proven to be suitable for the design of Pz- [ 45 ] and Pc- [ 46 ] based photosensitizers. By introducing this electron-withdrawing moiety we expected to produce an intramolecular dipole that would propitiate orbital partitioning ( OP ).…”

Section: Resultsmentioning

confidence: 99%

“…Finally, the signals corresponding to the protons of the aldehyde and the acid are found at around 12.00 and 15.00 ppm, respectively. ZnPz 11 bears a cyanoacetic group, which has proven to be suitable for the design of Pz- [45] and Pc- [46] based photosensitizers. By introducing this electron-withdrawing moiety we expected to produce an intramolecular dipole that would propitiate orbital partitioning (OP).…”

Section: Synthesismentioning

confidence: 99%

Tuning the Acceptor Unit of Push–Pull Porphyrazines for Dye-Sensitized Solar Cells

et al. 2021

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A family of four push–pull porphyrazines of A3B type, where each unit A contains two peripheral propyl chains and the unit B is endowed with a carboxylic acid, were prepared. The carboxylic acid was attached to the b-position of the pyrrolic unit, either directly (Pz 10), or through cyanovinyl (Pz 11) and phenyl (Pz 7) groups. The fourth Pz (14) consisted in a pyrazinoporphyrazine wherein the dinitrogenated heterocycle provided intrinsic donor–acceptor character to the macrocycle and contained a carboxyphenyl substituent. The direct attachment of the carboxylic acid functions and their linkers to the porphyrazine core produces stronger perturbation on the electronic properties of the macrocycle, with respect to their connection through fused benzene or pyrazine rings in TT112 and 14, respectively. The HOMO and LUMO energies of the Pzs, which were estimated with DFT calculations, show little variation within the series, except upon introduction of the cyanovinyl spacer, which produces a decrease in both frontier orbital energetic levels. This effective interaction of cyanovinyl substitution with the macrocycle is also evidenced in UV/Vis spectroscopy, where a large splitting of the Q-band indicates strong desymmetrization of the Pz. The performance of the four Pzs as photosensitizers in DSSCs were also investigated.

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“…Moreover, as the reduction potential of CB of the semiconductor, E CB is difficult to be confirmed precisely due to its character of being affected easily by the conditions of semiconductor surface, such as the pH of the solution. Therefore, we used the experimental value E CB = -4.0 eV, which has been proved to be feasible by many previous researches [51,52]. According to Eqs.…”

Section: Injection Driving Forcementioning

confidence: 99%

Influence of position of auxiliary acceptor in D–A–π–A photosensitizes on photovoltaic performances of dye-sensitized solar cells

Zhang

et al. 2015

J Mater Sci

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Several novel indoline dyes configured with donor-acceptor-bridge-acceptor (D-A-p-A) structures were designed and applied to organic dye-sensitized solar cells. These D-A-p-A dye molecules are composed of indoline (electron donating group), benzothiadiazole (BDT) (auxiliary acceptor), two furan rings (p-conjugated group), and 2-cyanoacrylic acid (electron accepting group). The influence of position of auxiliary acceptor in D-A-p-A organic sensitizer on the performance of photosensitize is investigated in detail. Calculated results show that the sensitizer could achieve a red-shifted absorption in longwavelength region and a stronger absorption in shortwavelength region when the position of auxiliary acceptor changes from the donor to the acceptor. Moreover, among these dyes, WS-12, whose auxiliary acceptor nearing the 2-cyanoacrylic acid, possesses the better performance in terms of the charge transfer characteristics, lifetime of excited state as well as the vertical dipole moment when compared with WS-1 and WS-11. We hope that the present results could provide theoretical guidance for designing photosensitizes with higher efficiencies.

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Theoretical design of porphyrazine derivatives as promising sensitizers for dye-sensitized solar cells

Cited by 34 publications

References 67 publications

The influence of the shape and configuration of sensitizer molecules on the efficiency of DSSCs: a theoretical insight

The influence of the shape and configuration of sensitizer molecules on the efficiency of DSSCs: a theoretical insight

Tuning the Acceptor Unit of Push–Pull Porphyrazines for Dye-Sensitized Solar Cells

Influence of position of auxiliary acceptor in D–A–π–A photosensitizes on photovoltaic performances of dye-sensitized solar cells

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