Theoretical study on the effect of different π-linker on the performance of sensitizer in carbazole-based dyes

2018 ◽  
Vol 17 (02) ◽  
pp. 1850019 ◽  
Author(s):  
Huixia Guo ◽  
Xiaohua Xi ◽  
Renxiang Yan ◽  
Xiaoquan Lu
Keyword(s):  
Density Functional ◽  
Short Circuit ◽  
Dye Sensitized Solar Cells ◽  
Photocurrent Density ◽  
Dft Methods ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Maximum Absorption Wavelength ◽  
Optimized Geometries

Derived from diarylamine sensitizer diphenyl-(7-pyridin-4-yl-9H-carbazol-2-yl)-amine (N13), a series of novel D[Formula: see text]A carbazole-based organic dye sensitizers with different [Formula: see text]-linkers were designed for searching more effective sensitizers in dye-sensitized solar cells (DSSCs) design. Optimized geometries, electronic structure, and other parameters, which can evaluate the performance of DSSCs effectively and intuitively, were theoretically calculated by density functional theory (DFT) and time-dependent DFT methods at the M06/6-31G(d,p) level. The results indicated that the maximum absorption wavelength of designed dye was red-shifted and the molar absorption coefficient ([Formula: see text]) became higher. This phenomenon can be explained by the modification of the [Formula: see text]-bridge. The simulated Ultraviolet–visible spectroscopy (UV-Vis) absorption spectrum showed that the designed N,N-diphenyl-7-(5-(7-(5-(pyridin-4-yl)thiophen-2-yl)benzo[c][1,2,5]thiadiazol-4-yl)thiophen-2-yl)-9H-carbazol-2-amine (N22) dye presents the largest red-shifted absorption band and the designed (E)-N,N-diphenyl-7-(2-(5[Formula: see text]-(pyridin-4-yl)-[2,2[Formula: see text]-bithiophene]-5-yl)vinyl)-9H-carbazol-2-amine (N21) dye showed the largest [Formula: see text], both of them depicted a high short-circuit photocurrent density ([Formula: see text]. Meanwhile, the charge separation hampered by long [Formula: see text]-linkers was also observed. These results are helpful for designing new sensitizers and providing effective guiding to experimental synthesis.

How do transition-metal-substituted POMs modify the photoanode of dye-sensitized solar cells? A DFT study

2019 ◽  
Vol 6 (4) ◽  
pp. 969-974 ◽  
Author(s):  
Yu Gao ◽  
Li-Kai Yan ◽  
Wei Guan ◽  
Zhong-Min Su
Keyword(s):  
Transition Metal ◽  
Electronic Structures ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Dft Methods ◽  
Functional Theory ◽  
Dye Sensitized ◽  
The Density Functional Theory ◽  
Td Dft ◽  
Sensitized Solar Cells

Herein, the electronic structures and absorption spectra of a series of transition-metal-substituted polyoxometalates (TMSPs) were systematically investigated to screen promising candidates for the POM/TiO2 nanocomposite film used in DSSCs using the density functional theory (DFT) and time-dependent DFT (TD-DFT) methods.

Thiocyanate Free Ruthenium(II) Complexes for Dye Sensitized Solar Cells (DSSCs)

2018 ◽  
Vol 382 ◽  
pp. 369-373
Author(s):  
Usana Mahanitipong ◽  
Preeyapat Prompan ◽  
Rukkiat Jitchati
Keyword(s):  
Solar Cells ◽  
Short Circuit ◽  
Dye Sensitized Solar Cells ◽  
Visible Region ◽  
Photocurrent Density ◽  
Open Circuit ◽  
Dye Sensitized ◽  
Ligand Charge Transfer ◽  
Sensitized Solar Cells ◽  
Open Circuit Photovoltage

The four thiocyanate free ruthenium(II) complexes; [Ru(N^N)2(C^N)]PF6were synthesized and characterized for dye sensitized solar cells (DSSCs). The results showed that the broad absorptions covered the visible region from metal to ligand charge transfer (MLCT) were obtained with the main peaks at 560, 490 and 400 nm. The materials were studied DSSC performance under standard AM 1.5. Compound PP1 showed the power conversion efficiency (PCE) at 3.10%, with a short-circuit photocurrent density (Jsc) of 7.99 mA cm-2, an open-circuit photovoltage (Voc) of 563 mV and a high fill factor (ff) of 0.690.

scholarly journals Improved Performance of Dye-Sensitized Solar Cells with TiO2 Nanoparticles/Zn-Doped TiO2 Hollow Fiber Photoanodes

Energies ◽  
2018 ◽  
Vol 11 (11) ◽  
pp. 2922 ◽  
Author(s):  
Zainal Arifin ◽  
Suyitno Suyitno ◽  
Syamsul Hadi ◽  
Bayu Sutanto
Keyword(s):  
Solar Cells ◽  
Tio2 Nanoparticles ◽  
Double Layer ◽  
Short Circuit ◽  
Dye Sensitized Solar Cells ◽  
Photocurrent Density ◽  
Light Transmittance ◽  
Doped Tio2 ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

In this study, dye-sensitized solar cells (DSSCs) were fabricated using double-layer photoanodes consisting of TiO2 nanoparticles (NPs) and Zn-doped TiO2 hollow fibers (HFs). The TiO2 HFs were prepared by co-axial electrospinning and used as the light-scattering layer in the DSSC. The thickness variations of the TiO2 NP and Zn-doped TiO2 HF photoanode layers affect the performance of the DSSC, especially the short-circuit photocurrent density. The thickness of the TiO2 NP layer significantly affected the absorbance of photons and N719 dye molecules in the double-layer photoanode, while that of the Zn-doped TiO2 HF layer affected the scattering of light, as indicated by the low light transmittance in the photoanode. Conventional DSSCs consist of single-layer photoanodes, and exhibit relatively low efficiency, i.e., 1.293% and 0.89% for TiO2 NP and Zn-doped TiO2 HF, respectively. However, herein, the highest efficiency of the DSSC (3.122%) was achieved with a 15 μm NP-5 μm HF photoanode, for which the short-circuit photocurrent density, open-circuit photovoltage, and fill factor were 15.81 mA/cm2, 0.566 V, and 34.91%, respectively.

Solid-state dye-sensitized solar cells from polymer-templated TiO2 bilayer thin films

2012 ◽  
Vol 90 (12) ◽  
pp. 1048-1055
Author(s):  
Honghan Fei ◽  
Xiaojuan Fan ◽  
David L. Rogow ◽  
Scott R.J. Oliver
Keyword(s):  
Thin Films ◽  
Solid State ◽  
Conversion Efficiency ◽  
Short Circuit ◽  
Dye Sensitized Solar Cells ◽  
Photocurrent Density ◽  
Open Circuit ◽  
Dye Sensitized ◽  
Maximum Conversion Efficiency ◽  
Sensitized Solar Cells

We report an inexpensive method using solvent-swollen poly(methyl methacrylate) as a sacrificial template for mesoporous titanium oxide thin films with tunable meso/nano morphology. The conversion efficiency reaches 4.2% despite using a solid-state electrolyte, which circumvents the longevity issues of liquid electrolytes. The cells show a large short-circuit photocurrent density of 7.98 mA, open-circuit voltage of 0.78 V, and maximum conversion efficiency of 4.2% under air-mass 1.5 global illumination. At higher titania precursor ratios, nanodisk particles are formed that increase light scattering and double the efficiency over our previous reports. The tunability of the semiconductor morphology and all solid-state nature of the cells makes the method a viable alternative to existing solar cell technology.

scholarly journals Theoretical design of porphyrin sensitizers with different acceptors for application in dye-sensitized solar cells

RSC Advances ◽  
2018 ◽  
Vol 8 (35) ◽  
pp. 19804-19810 ◽  
Author(s):  
Xingyi Jin ◽  
Dongyuan Li ◽  
Libo Sun ◽  
Cheng-Long Wang ◽  
Fu-Quan Bai
Keyword(s):  
Density Functional Theory ◽  
Carboxylic Acid ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Time Dependent ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Theoretical Design ◽  
Sensitized Solar Cells ◽  
Dependent Density

Using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods, three porphyrin dyes with different acceptors, such as carboxylic acid, cyanoacrylic acid, and 2-cyano-N-hydroxyacrylamide, have been designed.

scholarly journals Theoretical Investigation on Photophysical Properties of Triphenylamine and Coumarin Dyes

Materials ◽  
2020 ◽  
Vol 13 (21) ◽  
pp. 4834
Author(s):  
Xinrui Li ◽  
Peng Song ◽  
Dongpeng Zhao ◽  
Yuanzuo Li
Keyword(s):  
Density Functional ◽  
Photophysical Properties ◽  
Dye Sensitized Solar Cells ◽  
Cooh Group ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Photoelectric Properties ◽  
Donor And Acceptor ◽  
Anchoring Group ◽  
Sensitized Solar Cells

Organic molecules with donor and acceptor configures are widely used in optoelectronic materials. Triphenylamine dyes (TPCTh and TPCRh) are investigated via density functional theory (DFT) and time-dependent DFT. Some microscopic parameters related to light absorption and photoelectric formation are calculated to interpret the experimental performance in dye-sensitized solar cells (DSSCS). Considering that coumarin derivatives (Dye 10 and Dye 11) have good donor and acceptor structures, they also have a COOH group used as an anchoring group to connect with semiconductors. Thus, the two dyes’ photophysical and photoelectric properties are analyzed to estimate the performance and application in DSSCs.

Sign in / Sign up

Export Citation Format

Share Document