Diphenyldibenzofulvene-Based Sensitizers for Efficient Dye-Sensitized Solar Cells: The Tuned Absorption Properties and Partially Suppressed Aggregation

2014 ◽  
Vol 3 (2) ◽  
pp. 176-184 ◽  
Author(s):  
Huiyang Li ◽  
Runli Tang ◽  
Yingqin Hou ◽  
Yizhou Yang ◽  
Junnian Chen ◽  
...  
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.


2019 ◽  
Vol 26 (1) ◽  
pp. 29-36 ◽  
Author(s):  
Agata Zdyb ◽  
Stanisław Krawczyk

Abstract Natural flavonoids quercetin, morin, fisetin and luteolin were studied as potential photosensitizers for dye-sensitized solar cells (DSSC). Spectroscopic methods were used to investigate the formation of dye/TiO2 nanoparticles assemblies and the development of their absorption spectra. The results show that the flavonoids adsorb well on TiO2 nanoparticles and this process causes the shift of absorption spectra from the near UV into the visible range of solar light. The mode of binding of the dye molecules on TiO2 surface is analyzed by comparison of spectral absorption properties and with the use of structural differences introduced by fisetin and luteolin for discrimination between several possibilities.


2019 ◽  
Vol 43 (24) ◽  
pp. 9403-9410 ◽  
Author(s):  
Audun Formo Buene ◽  
Nanna Boholm ◽  
Anders Hagfeldt ◽  
Bård Helge Hoff

Synthesis and characterization of three phenothiazine dyes inspired by literature dye EO3 improving absorption properties and photovoltaic performance in DSSCs.


2010 ◽  
Vol 130 (2) ◽  
pp. 136-140 ◽  
Author(s):  
Shoji Furukawa ◽  
Hiroshi Iino ◽  
Koudai Kukita ◽  
Kaoru Kaminosono

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