Computational Studies of the Interaction between Ruthenium Dyes and X− and X2−, X = Br, I, At. Implications for Dye-Sensitized Solar Cells

2010 ◽  
Vol 114 (35) ◽  
pp. 15165-15173 ◽  
Author(s):  
Ching-Han Hu ◽  
Abu Md. Asaduzzaman ◽  
Georg Schreckenbach
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Computational Studies ◽  
Dye Sensitized ◽  
Ruthenium Dyes ◽  
Sensitized Solar Cells

scholarly journals Fused Thiazine Tethered Metal-Free Dyes for Dye Sensitized Solar Cells: A Computational Investigation

2021 ◽  
Vol 33 (10) ◽  
pp. 2373-2378
Author(s):  
K. Gokula Krishnan ◽  
V. Saravanan ◽  
C. Udhaya Kumar ◽  
C. Ramalingan
Keyword(s):  
Solar Cells ◽  
Driving Forces ◽  
Dye Sensitized Solar Cells ◽  
Computational Studies ◽  
Computational Investigation ◽  
Dye Sensitized ◽  
B3lyp Method ◽  
Harvesting Efficiency ◽  
Dye Regeneration ◽  
Sensitized Solar Cells

Three novel cyanoacetamide decorated phenothiazines (1a-c) have been designed. Structural and photo-physical properties of the molecules 1a-c have been investigated. To better realize the charge transport process involved in the dye-sensitized solar cells (DSSCs), computational studies have been performed using B3LYP and CAM-B3LYP method for the dyes 1a-c. Theoretical findings for DSSCs include LHE (light-harvesting efficiency) and driving forces such as electron injection (ΔGinject) and dye regeneration have been calculated to envisage the most appropriate dyes for the application of DSSC.

scholarly journals The emergence of copper(i)-based dye sensitized solar cells

2015 ◽  
Vol 44 (23) ◽  
pp. 8386-8398 ◽  
Author(s):  
Catherine E. Housecroft ◽  
Edwin C. Constable
Keyword(s):  
Solar Cells ◽  
Light Harvesting ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
Ruthenium Dyes ◽  
Sensitized Solar Cells ◽  
Made In

The development of bis(diimine)copper(i) complexes as dyes in dye-sensitized solar cells is described. We assess the progress made in terms of light-harvesting and overall photoconversion efficiencies, and highlight areas that remain ripe for development and improvement, and the advantages of copper dyes over conventional ruthenium dyes.

Neutral and anionic tetrazole-based ligands in designing novel ruthenium dyes for dye-sensitized solar cells

2016 ◽  
Vol 307 ◽  
pp. 416-425 ◽  
Author(s):  
Guohua Wu ◽  
Ryuji Kaneko ◽  
Yaohong Zhang ◽  
Yoshinao Shinozaki ◽  
Kosuke Sugawa ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
Ruthenium Dyes ◽  
Sensitized Solar Cells

scholarly journals Zinc phthalocyanines as light harvesters for SnO2-based solar cells: a case study

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Riccardo Milan ◽  
Gurpreet Singh Selopal ◽  
Marco Cavazzini ◽  
Simonetta Orlandi ◽  
Rita Boaretto ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Secondary Amines ◽  
Computational Studies ◽  
Dye Sensitized ◽  
Zinc Phthalocyanines ◽  
Photovoltaic Applications ◽  
Anchoring Groups ◽  
Sensitized Solar Cells

AbstractSnO2 nanoparticles have been synthesized and used as electron transport material (ETM) in dye sensitized solar cells (DSSCs), featuring two peripherally substituted push-pull zinc phthalocyanines (ZnPcs) bearing electron donating diphenylamine substituents and carboxylic acid anchoring groups as light harvesters. These complexes were designed on the base of previous computational studies suggesting that the integration of secondary amines as donor groups in the structure of unsymmetrical ZnPcs might enhance photovoltaics performances of DSSCs. In the case of TiO2-based devices, this hypothesis has been recently questioned by experimental results. Herein we show that the same holds for SnO2, despite the optimal matching of the optoelectronic characteristics of the synthesized nanoparticles and diphenylamino-substituted ZnPcs, thus confirming that other parameters heavily affect the solar cells performances and should be carefully taken into account when designing materials for photovoltaic applications.

Joint electrical, photophysical and computational studies on D-π-A dye sensitized solar cells: the impacts of dithiophene rigidification

2012 ◽  
Vol 3 (4) ◽  
pp. 976 ◽  
Author(s):  
Mingfei Xu ◽  
Min Zhang ◽  
Mariachiara Pastore ◽  
Renzhi Li ◽  
Filippo De Angelis ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Computational Studies ◽  
Dye Sensitized ◽  
Sensitized Solar Cells
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