First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells

2013 ◽  
Vol 117 (8) ◽  
pp. 3772-3778 ◽  
Author(s):  
Jie Feng ◽  
Yang Jiao ◽  
Wei Ma ◽  
Md. K. Nazeeruddin ◽  
Michael Grätzel ◽  
...  
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Molecules ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

scholarly journals First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

2011 ◽  
Vol 21 (30) ◽  
pp. 11101 ◽  
Author(s):  
Saurabh Agrawal ◽  
Pratibha Dev ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

scholarly journals Interacting Ru(bpy) 3 2 + Dye Molecules and TiO2 Semiconductor in Dye-Sensitized Solar Cells

Mathematics ◽  
2020 ◽  
Vol 8 (5) ◽  
pp. 841 ◽  
Author(s):  
Sasipim Putthikorn ◽  
Thien Tran-Duc ◽  
Ngamta Thamwattana ◽  
James M. Hill ◽  
Duangkamon Baowan
Keyword(s):  
Solar Cells ◽  
Continuum Model ◽  
Minimum Energy ◽  
Dye Sensitized Solar Cells ◽  
Nanoporous Structure ◽  
Dye Molecules ◽  
Energy Position ◽  
Alternative Source ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Solar energy is an alternative source of energy that can be used to replace fossil fuels. Various types of solar cells have been developed to harvest this seemingly endless supply of energy, leading to the construction of solar cell devices, such as dye-sensitized solar cells. An important factor that affects energy conversion efficiency of dye-sensitized solar cells is the distribution of dye molecules within the porous semiconductor (TiO 2 ). In this paper, we formulate a continuum model for the interaction between the dye molecule Tris(2,2 ′ -bipyridyl)ruthenium(II) (Ru(bpy) 3 2 + ) and titanium dioxide (TiO 2 ) semiconductor. We obtain the equilibrium position at the minimum energy position between the dye molecules and between the dye and TiO 2 nanoporous structure. Our main outcome is an analytical expression for the energy of the two molecules as a function of their sizes. We also show that the interaction energy obtained using the continuum model is in close agreement with molecular dynamics simulations.

First principles study of organic sensitizers for dye sensitized solar cells: effects of anchoring groups on optoelectronic properties and dye aggregation

2016 ◽  
Vol 18 (2) ◽  
pp. 1071-1081 ◽  
Author(s):  
Santhanamoorthi Nachimuthu ◽  
Wei-Chieh Chen ◽  
Ermias Girma Leggesse ◽  
Jyh-Chiang Jiang
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Spectral Properties ◽  
Theoretical Calculations ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
Dye Aggregation ◽  
Anchoring Groups ◽  
Sensitized Solar Cells ◽  
Organic Sensitizers

Efficient organic sensitizers with improved spectral properties and less aggregation have been proposed for practical DSSCs based on theoretical calculations.

Design of new metal-free dyes for dye-sensitized solar cells: A first-principles study

2012 ◽  
Vol 376 (38-39) ◽  
pp. 2595-2599 ◽  
Author(s):  
Xiong Gu ◽  
Le Zhou ◽  
Yawei Li ◽  
Qiang Sun ◽  
Puru Jena
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Metal Free ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells
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