Molecular Engineering of Simple Metal‐Free Organic Dyes Derived from Triphenylamine for Dye‐Sensitized Solar Cell Applications

ChemSusChem ◽  
2019 ◽  
Vol 13 (1) ◽  
pp. 212-220 ◽  
Author(s):  
Parnian Ferdowsi ◽  
Yasemin Saygili ◽  
Farzan Jazaeri ◽  
Tomas Edvinsson ◽  
Javad Mokhtari ◽  
...  
2015 ◽  
Vol 8 (11) ◽  
pp. 3192-3197 ◽  
Author(s):  
Zhaoyang Yao ◽  
Heng Wu ◽  
Yang Li ◽  
Junting Wang ◽  
Jing Zhang ◽  
...  

A metal-free organic dye-sensitized solar cell attains 13% power conversion efficiency under AM1.5G full sunlight.


2016 ◽  
Vol 94 (12) ◽  
pp. 1109-1118 ◽  
Author(s):  
Christopher Lambert ◽  
Yu Mao ◽  
Yanzhen Zheng ◽  
Xia Tao ◽  
P. Hu ◽  
...  

Dye-sensitized solar cell (DSSC) is currently a promising technology that makes solar energy efficient and cost-effective to harness. In DSSC, metal-free dyes such as indoline-containing D149 and D205 have been proven to be potential alternatives for traditional metal organic dyes. In this work, a DFT/TDDFT characterization for D149 and D205 was carried out using different functionals, including B3LYP, MPW1K, CAM–B3LYP, and PBE0. Three different conformers for D149 and four different conformers for D205 were identified and calculated in a vacuum. The performance of different functionals on calculating the maximum absorbance of the dyes in a vacuum and five common solvents (acetonitrile, chloroform, ethanol, methanol, and THF) were examined and compared to determine the suitable computational setting for predicting properties of these two dyes. Furthermore, deprotonated D149 and D205 in solvents were also considered, and the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) were calculated, which elucidates the substitution effect on the rhodanine ring of D149 and D205 dyes on their efficiency. Finally, D149 and D205 molecules were confirmed to be firmly anchored on ZnO surface by periodic DFT calculations. These results shed light on the design of new, highly efficient metal-free dyes.


ChemSusChem ◽  
2014 ◽  
Vol 7 (9) ◽  
pp. 2659-2669 ◽  
Author(s):  
Roberto Grisorio ◽  
Luisa De Marco ◽  
Rita Agosta ◽  
Rosabianca Iacobellis ◽  
Roberto Giannuzzi ◽  
...  

Author(s):  
Bhanumathi Nagarajan ◽  
Athrey C D ◽  
Ramachandran Elumalai ◽  
Sudakar Chandran ◽  
Dhamodharan Raghavachari

2013 ◽  
Vol 771 ◽  
pp. 39-51 ◽  
Author(s):  
I. Jinchu ◽  
C.O. Sreekala ◽  
K.S. Sreelatha

The molecular dye is an essential component of the Dye sensitized solar cell (DSSC), and improvements in efficiency over the last 15 years have been achieved by tailoring the optoelectronic properties of the dye. The most successful dyes are based on ruthenium bipyridyl compounds, which are characterized by a large absorption coefficient in the visible part of the solar spectrum, good adsorption properties, excellent stability, and efficient electron injection. However, ruthenium-based compounds are relatively expensive, and organic dyes with similar characteristics and even higher absorption coefficients have recently been reported; solar cells with efficiencies of up to 9% have been reported. Organic dyes with a higher absorption coefficient could translate into thinner nanostructured metal oxide films, which would be advantageous for charge transport both in the metal oxide and in the permeating phase, allowing for the use of higher viscosity materials such as ionic liquids, solid electrolytes or hole conductors. Organic dyes used in the DSSC often bear a resemblance to dyes found in plants, fruits, and other natural products, and several dye-sensitized solar cells with natural dyes have been reported. This paper gives an over-view of the recent works in DSSC using the natural dyes as chromophores.


2011 ◽  
Vol 538 (1) ◽  
pp. 278-284 ◽  
Author(s):  
Mi Ran Jung ◽  
Hyo Jeong Jo ◽  
Hyun Sik Yang ◽  
Hyojeong Kim ◽  
Jin Kyu Kang ◽  
...  

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