scholarly journals Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands

2011 ◽  
Vol 2011 ◽  
pp. 1-11 ◽  
Author(s):  
Xiaoqing Lu ◽  
Shuxian Wei ◽  
Chi-Man Lawrence Wu ◽  
Ning Ding ◽  
Shaoren Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Dye Sensitized Solar Cells ◽  
Optical Absorption Spectra ◽  
Ancillary Ligands ◽  
Dye Sensitized ◽  
Ligand Charge Transfer ◽  
Sensitized Solar Cells

The design of light-absorbent dyes with cheaper, safer, and more sustainable materials is one of the key issues for the future development of dye-sensitized solar cells (DSSCs). We report herein a theoretical investigation on a series of polypyridyl Fe(II)-based complexes of FeL2(SCN)2, [FeL3]2+, [FeL′(SCN)3]-, [FeL′2]2+, and FeL′′(SCN)2(L = 2,2′-bipyridyl-4,4′-dicarboxylic acid, L′ = 2,2′,2″-terpyridyl-4,4′,4″-tricarboxylic acid, L″= 4,4‴-dimethyl-2,2′ : 6′,2″ :6″,2‴-quaterpyridyl-4′,4″-biscarboxylic acid) by density functional theory (DFT) and time-dependent DFT (TD-DFT). Molecular geometries, electronic structures, and optical absorption spectra are predicted in both the gas phase and methyl cyanide (MeCN) solution. Our results show that polypyridyl Fe(II)-based complexes display multitransition characters of Fe → polypyridine metal-to-ligand charge transfer and ligand-to-ligand charge transfer in the range of 350–800 nm. Structural optimizations by choosing different polypyridyl ancillary ligands lead to alterations of the molecular orbital energies, oscillator strength, and spectral response range. Compared with Ru(II) sensitizers, Fe(II)-based complexes show similar characteristics and improving trend of optical absorption spectra along with the introduction of different polypyridyl ancillary ligands.

Carbon nanotube-carbon black hybrid counter electrodes for dye-sensitized solar cells and the effect on charge transfer kinetics

2021 ◽  
Author(s):  
Christian Abel Cruz-Gutiérrez ◽  
Rosa María Félix-Navarro ◽  
Julio Cesar Calva-Yañez ◽  
Carolina Silva-Carrillo ◽  
Shu Wai Lin-Ho ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Carbon Nanotube ◽  
Carbon Black ◽  
Dye Sensitized Solar Cells ◽  
Counter Electrodes ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

scholarly journals High efficiency dye-sensitized solar cells with VOC–JSC trade off eradication by interfacial engineering of the photoanode|electrolyte interface

RSC Advances ◽  
2019 ◽  
Vol 9 (69) ◽  
pp. 40292-40300
Author(s):  
Anantharaj Gopalraman ◽  
Subbian Karuppuchamy ◽  
Saranyan Vijayaraghavan
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
High Efficiency ◽  
Dye Sensitized Solar Cells ◽  
Surface States ◽  
Trade Off ◽  
Interfacial Engineering ◽  
Dye Sensitized ◽  
Electrolyte Interface ◽  
Sensitized Solar Cells

VOC–JSC trade off is eliminated. Newly created surface states by OA in TiO2 facilitated the charge transfer kinetics.

Influence of TiO2 nanotube morphology and TiCl4 treatment on the charge transfer in dye-sensitized solar cells

2013 ◽  
Vol 112 (3) ◽  
pp. 733-737 ◽  
Author(s):  
Sun Hong Lee ◽  
Sang Youn Chae ◽  
Yun Jeong Hwang ◽  
Kee-Kahb Koo ◽  
Oh-Shim Joo
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Dye Sensitized Solar Cells ◽  
Tio2 Nanotube ◽  
Dye Sensitized ◽  
Ticl4 Treatment ◽  
Sensitized Solar Cells

Insight into Electron-Donating Ancillary Ligands in Ruthenium Terpyridyl Complexes Configuration on Performances of Dye-Sensitized Solar Cells

2017 ◽  
Vol 121 (16) ◽  
pp. 8752-8759 ◽  
Author(s):  
Wang-Chao Chen ◽  
Fan-Tai Kong ◽  
Rahim Ghadari ◽  
Zhao-Qian Li ◽  
Xue-Peng Liu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Ancillary Ligands ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Insight Into

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.

Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study

2019 ◽  
Vol 233 (9) ◽  
pp. 1247-1259
Author(s):  
Madhu Prakasam
Keyword(s):  
Solar Cells ◽  
Absorption Spectra ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Visible Region ◽  
Electron Injection ◽  
Injection Rate ◽  
Visible Absorption ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Abstract In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH3)2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10−30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH3)2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH3)2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.

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