Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells

2012 ◽  
Vol 14 (35) ◽  
pp. 12044 ◽  
Author(s):  
Saurabh Agrawal ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
Ab Initio ◽  
Molecular Simulation ◽  
Organic Dye ◽  
Dye Molecules

scholarly journals Computer Simulations of Viscosity Dependent Molecular Relaxation Processes

1985 ◽  
Vol 5 (3) ◽  
pp. 119-132 ◽  
Author(s):  
M. Kaschke ◽  
J. Kleinschmidt ◽  
B. Wilhelmi
Keyword(s):  
Excited State ◽  
Organic Dye ◽  
Relaxation Processes ◽  
Dye Molecules ◽  
Excited State Lifetime ◽  
Molecular Relaxation ◽  
Relaxation Transitions ◽  
Theoretical Investigations ◽  
Excited State Population ◽  
Viscosity Dependence

The dependence of excited-state lifetime, fluorescence quantum yield and isomerization rate of organic dye molecules on solvent viscosity has been a subject of numerous experimental and theoretical investigations. To explain the viscosity dependence of excited-state lifetime in this paper the temporal behavior of the excited state population is calculated for several models of the molecular relaxation process by a computer simulation incorporating both the stochastical motion of large molecular parts in the excited state and relaxation transitions. The described method is applicable to calculating the probability of changing the electronic state as a function of time and internal rotation coordinate.

13.6% Efficient Organic Dye-Sensitized Solar Cells by Minimizing Energy Losses of the Excited State

2019 ◽  
Vol 4 (4) ◽  
pp. 943-951 ◽  
Author(s):  
Li Zhang ◽  
Xichuan Yang ◽  
Weihan Wang ◽  
Gagik G. Gurzadyan ◽  
Jiajia Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
Dye Sensitized Solar Cells ◽  
Organic Dye ◽  
Energy Losses ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

High-gain and wide-band optical amplifications induced by a coupled excited state of organic dye molecules co-doped in polymer waveguide

2018 ◽  
Vol 43 (8) ◽  
pp. 1714 ◽  
Author(s):  
Youtaro Higase ◽  
Shinya Morita ◽  
Toshiyuki Fujii ◽  
Shun Takahashi ◽  
Kenichi Yamashita ◽  
...  
Keyword(s):  
Excited State ◽  
Wide Band ◽  
High Gain ◽  
Organic Dye ◽  
Dye Molecules ◽  
Polymer Waveguide ◽  
Co Doped

Enhancement in the solar efficiency of a dye-sensitized solar cell by molecular engineering of an organic dye incorporating N-alkyl-attached 1,8-naphthalamide derivative

2020 ◽  
Vol 8 (33) ◽  
pp. 11407-11416
Author(s):  
Manik Chandra Sil ◽  
Li-Syuan Chen ◽  
Chin-Wei Lai ◽  
Cheng-Chung Chang ◽  
Chih-Ming Chen
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
Dye Sensitized Solar Cells ◽  
Organic Dye ◽  
Molecular Engineering ◽  
Dye Sensitized Solar Cell ◽  
Dye Molecules ◽  
Dye Sensitized ◽  
Photovoltaic Parameters ◽  
Sensitized Solar Cells

Controlling the orientation of the dye molecules adsorbed on the TiO2 surface needs extensive attention for improving the photovoltaic parameters of dye-sensitized solar cells (DSSCs).

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