ChemInform Abstract: Squaraine Dyes for Dye-Sensitized Solar Cells: Recent Advances and Future Challenges

ChemInform ◽  
2013 ◽  
Vol 44 (44) ◽  
pp. no-no
Author(s):  
Chuanjiang Qin ◽  
Wai-Yeung Wong ◽  
Liyuan Han
Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2461
Author(s):  
Claudia Dragonetti ◽  
Alessia Colombo

Dye-sensitized solar cells (DSSCs) are an effective alternative for delivering clean energy from the sun compared to the most widely deployed technologies based upon semiconductor photovoltaics [...]


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.


ChemInform ◽  
2014 ◽  
Vol 45 (7) ◽  
pp. no-no
Author(s):  
Maria-Eleni Ragoussi ◽  
Mine Ince ◽  
Tomas Torres

2018 ◽  
Vol 258 ◽  
pp. 271-282 ◽  
Author(s):  
Won-Yeop Rho ◽  
Da Hyun Song ◽  
Hwa-Young Yang ◽  
Ho-Sub Kim ◽  
Byung Sung Son ◽  
...  

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

2015 ◽  
Vol 88 (7) ◽  
pp. 208-217 ◽  
Author(s):  
Takeshi MAEDA ◽  
Daisuke KAKIO ◽  
Shigeyuki YAGI ◽  
Hiroyuki NAKAZUMI

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