Investigation of the minimum driving force for dye regeneration utilizing model squaraine dyes for dye-sensitized solar cells

2017 ◽  
Vol 5 (43) ◽  
pp. 22672-22682 ◽  
Author(s):  
Anusha Pradhan ◽  
Takuya Morimoto ◽  
Maryala Saikiran ◽  
Gaurav Kapil ◽  
Shuzi Hayase ◽  
...  

Combined theoretical and experimental approaches using model squaraine dyes as a representative of NIR sensitizers have demonstrated the possibility for facile dye regeneration, with a very small driving force of 0.12 eV, from the most commonly used iodine based redox electrolytes.

2015 ◽  
Vol 17 (24) ◽  
pp. 15868-15875 ◽  
Author(s):  
Wenxing Yang ◽  
Nick Vlachopoulos ◽  
Yan Hao ◽  
Anders Hagfeldt ◽  
Gerrit Boschloo

Minimizing the driving force required for the regeneration of oxidized dyes using redox mediators in an electrolyte is essential to further improve the open-circuit voltage and efficiency of dye-sensitized solar cells (DSSCs).


2015 ◽  
Vol 3 (43) ◽  
pp. 21733-21743 ◽  
Author(s):  
Xing Li ◽  
Yue Hu ◽  
Irene Sanchez-Molina ◽  
Ying Zhou ◽  
Fengtao Yu ◽  
...  

Maintaining a balance between the spectral absorption range and driving force for dye regeneration is the key to increase the photovoltaic performance of dye-sensitized solar cells.


2014 ◽  
Vol 16 (28) ◽  
pp. 14874-14881 ◽  
Author(s):  
Maqbool Hussain ◽  
Ashraful Islam ◽  
Idriss Bedja ◽  
Ravindra Kumar Gupta ◽  
Liyuan Han ◽  
...  

Although cyclometallation may produce significantly better light harvesting, a driving force <0.25 eV is not sufficient for effective dye regeneration in DSSCs.


2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
Reda M. El-Shishtawy ◽  
Shaaban A. Elroby ◽  
Abdullah M. Asiri ◽  
Rifaat H. Hilal

In an effort to provide, assess, and evaluate a theoretical approach which enables designing efficient donor-acceptor dye systems, the electronic structure and optical properties of pyran-squaraine as donor-acceptor dyes used in dye-sensitized solar cells were investigated. Ground state properties have been computed at the B3LYP/6-31+G**level of theory. The long-range corrected density functionals CAM-B3LYP, PBEPBE, PBE1PBE (PBE0), and TPSSH with 6-311++G**were employed to examine absorption properties of the studied dyes. In an extensive comparison between experimental results and ab initio benchmark calculations, the TPSSH functional with 6-311++G**basis set was found to be the most appropriate in describing the electronic properties for the studied pyran and squaraine dyes. Natural transition orbitals (NTO), frontier molecular orbitals (FMO), LUMO, HOMO, and energy gaps, of these dyes, have been analyzed to show their effect on the process of electron injection and dye regeneration. Interaction between HOMO and LUMO of pyran and squaraine dyes was investigated to understand the recombination process and charge-transfer process involving these dyes. Additionally, we performed natural bond orbital (NBO) analysis to investigate the role of charge delocalization and hyperconjugative interactions in the stability of the molecule.


2018 ◽  
Vol 6 (42) ◽  
pp. 11444-11456 ◽  
Author(s):  
Jonnadula Venkata Suman Krishna ◽  
Narra Vamsi Krishna ◽  
Towhid H. Chowdhury ◽  
Suryaprakash Singh ◽  
Idriss Bedja ◽  
...  

We have designed and synthesised four novel porphyrin sensitizers for dye-sensitized solar cell applications and shown power conversion efficiency of 10.5%.


2017 ◽  
Vol 53 (49) ◽  
pp. 6629-6632 ◽  
Author(s):  
Vediappan Sudhakar ◽  
Arulraj Arulkashmir ◽  
Kothandam Krishnamoorthy

A polymer–graphene blocking layer decreases back electron transfer and increases dye regeneration that improved the DSSC efficiency to 10.4%.


2021 ◽  
Vol 33 (10) ◽  
pp. 2373-2378
Author(s):  
K. Gokula Krishnan ◽  
V. Saravanan ◽  
C. Udhaya Kumar ◽  
C. Ramalingan

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.


2018 ◽  
Vol 10 (31) ◽  
pp. 26335-26347 ◽  
Author(s):  
Rajesh Bisht ◽  
Vediappan Sudhakar ◽  
Munavvar Fairoos Mele Kavungathodi ◽  
Neeta Karjule ◽  
Jayaraj Nithyanandhan

2019 ◽  
Vol 2 (12) ◽  
pp. 8464-8472 ◽  
Author(s):  
Vellimalai Punitharasu ◽  
Munavvar Fairoos Mele Kavungathodi ◽  
Ambarish Kumar Singh ◽  
Jayaraj Nithyanandhan

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