Towards high-performance DPP-based sensitizers for DSC applications

Yum, Jun‐Ho; Holcombe, Thomas W.; Kim, Yongjoo; Yoon, Jin Gu; Rakštys, Kasparas; Nazeeruddin, Mohammad Khaja; Grätzel, Michaël

doi:10.1039/c2cc35597c

Cited by 75 publications

(64 citation statements)

References 24 publications

(26 reference statements)

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“…22, 28 DPP-based molecular units have been used as π-linkers in D-A based organic dyes for Graetzel-type cells. 13,29,30 The absorption window in such dyes have been limited to 550 nm which is constrained by the length of the DPP linker. 31 Recently, Sharma et al (TDPP-BBT).…”

Section: Introductionmentioning

confidence: 99%

Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

et al. 2014

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Power conversion efficiency of a solar cell is a complex parameter which usually hides the molecular details of the charge generation process. For rationally tailoring the overall device efficiency of the dye-sensitized solar cell, detailed molecular understanding of photoinduced reactions at the dye-TiO 2 interface has to be achieved. Recently, near-IR absorbing diketopyrrolopyrrole-based (DPP) low bandgap polymeric dyes with enhanced photo-stabilities has been used for TiO 2 sensitization with moderate efficiencies. To improve the reported device performances, a critical analysis of the polymer-TiO 2 interaction and electron transfer dynamics is imperative. Employing a combination of time-resolved optical measurements complemented by low temperature EPR and steady-state Raman spectroscopy on polymer-TiO 2 conjugates, we provide direct evidence for photoinduced electron injection from the TDPP-BBT polymer singlet state into TiO 2 through the C=O group of the DPP-core. A detailed excited state description of the electron transfer process in films reveals instrument response function (IRF) limited (<110 fs) charge injection from a minor polymer fraction followed by a picosecond recombination. The major fraction of photo-excited polymers however, does not show injection indicating pronounced ground state heterogeneity induced due to non-specific polymer-TiO 2 interactions.Our work therefore underscores the importance of gathering molecular-level insight into the competitive pathways of ultrafast charge generation along with probing the chemical heterogeneity at the nanoscale within the polymer-TiO 2 films for optimizing photovoltaic device efficiencies.

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Section: Introductionmentioning

confidence: 99%

Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

et al. 2014

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“…To the best of our knowledge there are no published values of λ h/e hitherto for any DPPs despite the ever-growing number of publications involving their use in CT based materials. [9][10][11][12][13][14][15][16][17][18][19][20] The rest of the paper is laid out as follows; first, we give a brief description of the computation methods used to determine λ h/e (according to Equations 2-4). In the results and discussion section we first describe the influence of basis set and DFT employed on the computed λ h/e values of H 2 P 2 DPP.…”

Section: Introductionmentioning

confidence: 99%

“…[14][15][16][17][18][19][20][21] We have recently undertaken a detailed characterisation of the photophysical, photochemical and charge transfer, CT properties of single molecule DPPs in solution, the solid phase and in thin films with a view to ultimately developing novel sensor applications and electronic devices.…”

Section: Introductionmentioning

confidence: 99%

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study

2015

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angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study ', Dyes and Pigments, Vol. 113, pp. 609-617, February 2015 AbstractDetermination of inner sphere reorganisation energies is important in the development of organic charge mediating materials and electron transfer reactions. In this study, hole and electron inner sphere reorganisation energies, λ h and λ e respectively, have been computed for the first time for a series of structurally related diketopyrrolopyrrole (DPP) molecular motifs. Inner sphere reorganisation energies for self-exchange electron transfer reactions are calculated as being lower than those associated hole transfer processes in model planar phenyl and thiophenyl substituted DPP systems. It is found that λ e < λ h for all planar ring / DPP core structures examined. The effect on λ h/e of nonplanarity between phenyl substituents and DPP core is explored in detail. The relative ordering of λ h and λ e is dependent upon the torsional angle of phenyl rings and reverses at twist angles of greater than 60⁰ such that λ e > λ h .

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“…Thus, great efforts have been made to synthesize novel dyes with various electron-withdrawing blocks as A 0 , for instance, benzotriazole (BTZ) [4], benzothiadiazole (BTDZ) [5e7], quinoxaline (QX) [8e11], diketopyrrolopyrrole (DPP) [12,13], thienopyrroledione (TPD) [14] and dibenzophenazine (DBPZ) [15] were employed as A 0 to design dyes, and the synthesized dyes exhibit nice photovoltaic performance and stability.…”

Section: Introductionmentioning

confidence: 99%

Screening novel candidates and exploring design strategies for organic dye sensitizers with rigid π-linker: A theoretical study

Zhu

Liu

Geng

et al. 2015

Materials Chemistry and Physics

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Towards high-performance DPP-based sensitizers for DSC applications

Cited by 75 publications

References 24 publications

Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study

Screening novel candidates and exploring design strategies for organic dye sensitizers with rigid π-linker: A theoretical study

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Towards high-performance DPP-based sensitizers for DSC applications

Cited by 75 publications

References 24 publications

Heterogeneity in Dye–TiO2 Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

Heterogeneity in Dye–TiO2 Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study

Screening novel candidates and exploring design strategies for organic dye sensitizers with rigid π-linker: A theoretical study

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Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells

Heterogeneity in Dye–TiO₂ Interactions Dictate Charge Transfer Efficiencies for Diketopyrrolopyrrole-Based Polymer Sensitized Solar Cells