Highly Efficient Mesoscopic Dye-Sensitized Solar Cells Based on Donor-Acceptor-Substituted Porphyrins

2010 ◽  
Vol 49 (37) ◽  
pp. 6646-6649 ◽  
Author(s):  
Takeru Bessho ◽  
Shaik M. Zakeeruddin ◽  
Chen-Yu Yeh ◽  
Eric Wei-Guang Diau ◽  
Michael Grätzel
2010 ◽  
Vol 122 (37) ◽  
pp. 6796-6799 ◽  
Author(s):  
Takeru Bessho ◽  
Shaik M. Zakeeruddin ◽  
Chen-Yu Yeh ◽  
Eric Wei-Guang Diau ◽  
Michael Grätzel

2015 ◽  
Vol 137 (11) ◽  
pp. 3799-3802 ◽  
Author(s):  
Zhaoyang Yao ◽  
Min Zhang ◽  
Heng Wu ◽  
Lin Yang ◽  
Renzhi Li ◽  
...  

2016 ◽  
Vol 7 (8) ◽  
pp. 1602276 ◽  
Author(s):  
Aabhash Shrestha ◽  
Munkhbayar Batmunkh ◽  
Cameron J. Shearer ◽  
Yanting Yin ◽  
Gunther G. Andersson ◽  
...  

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.


2012 ◽  
Vol 51 (39) ◽  
pp. 9873-9876 ◽  
Author(s):  
Jiangyi Mao ◽  
Nannan He ◽  
Zhijun Ning ◽  
Qiong Zhang ◽  
Fuling Guo ◽  
...  

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