Monodispersed molecular donors for bulk hetero-junction solar cells: from molecular properties to device performances

2010 ◽  
Vol 46 (34) ◽  
pp. 6273 ◽  
Author(s):  
Silvia Colella ◽  
Marco Mazzeo ◽  
Roberto Grisorio ◽  
Eduardo Fabiano ◽  
Giovanna Melcarne ◽  
...  
Keyword(s):  
Solar Cells ◽  
Molecular Properties

scholarly journals Theoretical Study of theπ-Bridge Influence with Different Units of Thiophene and Thiazole in Coumarin Dye-Sensitized Solar Cells

2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Rody Soto-Rojo ◽  
Jesús Baldenebro-López ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Solar Cells ◽  
Molecular Orbital ◽  
Density Functional ◽  
Chemical Reactivity ◽  
Dye Sensitized Solar Cells ◽  
Molecular Properties ◽  
Chemical Hardness ◽  
Visible Absorption ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Eight coumarin derivative dyes were studied by varying theπ-bridge size with different thiophene and thiazole units for their potential use in dye-sensitized solar cells (DSSC). Geometry optimization, the energy levels and electron density of the Highest Occupied Molecular Orbital and the Lowest Unoccupied Molecular Orbital, and ultraviolet-visible absorption spectra were calculated by Density Functional Theory (DFT) and Time-Dependent-DFT. All molecular properties were analyzed to decide which dye was the most efficient. Furthermore, chemical reactivity parameters, such as chemical hardness, electrophilicity index, and electroaccepting power, were obtained and analyzed, whose values predicted the properties of the dyes in addition to the rest of the studied molecular properties. Our calculations allow us to qualitatively study dye molecules and choose the best for use in a DSSC. The effects ofπ-bridges based on thiophenes, thiazoles, and combinations of the two were reviewed; dyes with three units mainly of thiazole were chosen as the best photosensitizers for DSSC.

scholarly journals Engineering the interface energetics of solar cells by grafting molecular properties onto semiconductors

1997 ◽  
Vol 109 (6) ◽  
pp. 487-496 ◽  
Author(s):  
Dori Gal ◽  
Eli Sone ◽  
R Cohen ◽  
G Hodes ◽  
J Libman ◽  
...  
Keyword(s):  
Solar Cells ◽  
Molecular Properties
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