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

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 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.

Application-oriented computational studies on a series of D–π–A structured porphyrin sensitizers with different electron-donor groups

2015 ◽  
Vol 17 (45) ◽  
pp. 30624-30631 ◽  
Author(s):  
Chencheng Fan ◽  
Bao Zhang ◽  
Yuanchao Li ◽  
Yuxia Liang ◽  
Xiaodong Xue ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electron Donor ◽  
Reliable Method ◽  
Dye Sensitized Solar Cells ◽  
Fukui Function ◽  
Computational Studies ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

A reliable method involving the employment of the Fukui function, the extended condensed Fukui function and the Tangui Le Bahers model for the evaluation of newly designed D–π–A type porphyrin sensitizers for use in dye-sensitized solar cells was developed.

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