Single and double branched organic dyes based on carbazole and red-absorbing cationic indolium for p-type dye-sensitized solar cells: A combined experimental and theoretical investigation

Bao, Le Quoc; Ho, Phuong; Chitumalla, Ramesh Kumar; Jang, Joonkyung; Thogiti, Suresh; Kim, Jae Hong

doi:10.1016/j.dyepig.2017.09.042

Cited by 19 publications

(14 citation statements)

References 51 publications

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“…The energy of the dye’s HOMO should be well below the valence band of semiconductor NiO ( E VB = −4.98 eV) to guarantee enough driving force for hole injection. 9 In the meantime, the energy of the LUMO should be well above the redox potential of the mediator [ E (I 3 – /I – ) = −4.80 eV]. 10 The energies of the frontier orbitals are displayed in Figure 2 .…”

Section: Results and Discussionmentioning

confidence: 99%

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

et al. 2020

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The effects of anchoring groups on triarylamine-based p-type dyes were studied by substituting the strong electron-withdrawing carboxyl group with the weak electron-withdrawing pyridyl and the electron-rich catechol groups. Judged by the index t , the charge separation would be improved greatly when the carboxyl group of P4 is replaced by the pyridyl or catechol groups. Although carboxyl as an anchoring group lowers the HOMO energy and facilitates the hole injection in comparison with pyridyl and catechol groups, the weak electron-withdrawing pyridyl and the electron-rich catechol groups facilitate the charge separation. E g becomes narrow as the electron-withdrawing abilities of the anchoring groups decrease or as the conjugation extends. Both the extended π-spacers and the substitution of carboxyl with pyridyl and catechol groups promote the redshifts of adsorption wavelengths. The oscillator strengths for all dyes are over 2.00, indicating that all the dyes are able to harvest the sunlight strongly. The Δ G CR values of P4 , DF4 , and DZ4 are smaller than those of the other dyes. Also, these dyes have larger adsorption over infrared visible light, indicating that these dyes may be good candidates for p-type DSSCs.

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Section: Results and Discussionmentioning

confidence: 99%

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

et al. 2020

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“…Generally, the stronger the electron-withdrawing ability of the acceptor, the easier the intramolecular charge transfer towards acceptor, 25 which will cause the LUMO level of the dye to move towards a more negative potential. 26 When the electron-withdrawing group is attached to the acceptor of P4, the LUMO level of the modied dye moves down. Thus, the LUMO levels of Series A dyes are lower than P4.…”

Section: Electronic Properties Of Dyesmentioning

confidence: 99%

“…The energy conversion efficiency (h) is proportional to both the open-circuit photovoltage (V oc ) and the short-circuit photocurrent density (J sc ). 26 Under the same electrode conditions, the J sc is determined by the light-harvesting efficiency (LHE) and the driving forces of hole injection (DG inj ) from the excited dye to the semiconductor, dye regeneration (DG reg ) between the oxidized dye and the electrolyte, and charge recombination (DG CR ) from the oxidized dye to the semiconductor. 33 The more negative DG inj and DG reg are benecial for hole injection and dye regeneration.…”

Section: Performances Of P-type Dyesmentioning

confidence: 99%

Design of high performance p-type sensitizers with pyridinium derivatives as the acceptor by theoretical calculations

et al. 2020

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“…Dye-sensitized solar cells (DSSCs) have attracted considerable attention, owing to their great potential of being environment-friendly and low-cost, ever since crucial contributions were made by Grätzel and co-workers in 1991 [1]. However, the development of tandem dye-sensitized solar cells (DSSCs) is limited by the low efficiency of p -type DSSCs [2,3]. For future applications, more studies on p -type DSSCs are needed.…”

Section: Introductionmentioning

confidence: 99%

“…The amine salt groups with strong electron-withdrawing ability can be used as the “electron trap” to modify the dyes [15]. The suitable introduction of electron-withdrawing units into the π bridge as an “electron trap” can improve the distribution of donor electrons and facilitate electron transfer from the donor to the anchor, thereby improving the photovoltaic properties of the dyes [3]. Therefore, for p -type DSSCs, N + modified thiophene derivatives as π-linkers may improve the performance of p -type dyes, and the location of N + in the π-linker also has an important influence on the performance of dyes.…”

Section: Introductionmentioning

confidence: 99%

Effect of Nitrogen Cation as “Electron Trap” at π-Linker on Properties for p-Type Photosensitizers: DFT Study

Sun

Zhao

et al. 2019

Molecules

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On the basis of thieno(3,2-b)thiophene and dithieno[3,2-b:2′,3′-d]thiophene (T2 and T3 moieties) as π-linker, the A, D and S series dyes were designed to investigate the effect of the introducing N+ as an “electron trap” into T2 and T3 on the properties of the dyes. The optimized structures, electronic and optical properties were investigated by the density functional theory (DFT) and time-dependent DFT (TD-DFT). The results show that the properties of the dyes are sensitive to the N+ position in π-linkers. D series dyes with electron-withdrawing units located near the donor have better properties than the corresponding A series with the electron-withdrawing units located near the acceptor. For A and D series, the N+ modified dye named T2N+1-d displays the largest red shift of the UV–vis absorption, the maximum integral values of the adsorption-wavelength curves over the visible light, the highest light harvesting efficiency (LHE, 0.996), and the strongest adsorption energy (−44.33 kcal/mol). T2N+1-d also has a large driving force of hole injection (ΔGinj, −0.74 eV), which results in a more efficient hole injection. Bearing a lengthier π-linker than T2N+1-d, the properties of T2N+1-s are further improved. T2N+1-d moiety or its increased conjugated derivatives may be a promising π-linker.

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Single and double branched organic dyes based on carbazole and red-absorbing cationic indolium for p-type dye-sensitized solar cells: A combined experimental and theoretical investigation

Cited by 19 publications

References 51 publications

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

Design of high performance p-type sensitizers with pyridinium derivatives as the acceptor by theoretical calculations

Effect of Nitrogen Cation as “Electron Trap” at π-Linker on Properties for p-Type Photosensitizers: DFT Study

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