Lichtabsorption von Farbstoff-Molekülpaaren in Sandwichsystemen aus monomolekularen Schichten

1969 ◽  
Vol 24 (11) ◽  
pp. 1821-1830 ◽  
Author(s):  
V. Czikkely ◽  
G. Dreizler ◽  
H. Försterling ◽  
H. Kuhn ◽  
J. Sondermann ◽  
...  

Abstract The absorption spectra of cyanine-like dye molecules in monolayer assemblies are investigated. Pairs between two different dye molecules were obtained by superposing monolayers containing the first and second dye respectively. The spectra of these aggregates are compared with the spectra of the corresponding monomers. The spectral shifts are calculated theoretically using a perturbation approach based on the timedependent Schrödinger equation. The electronic interaction integrals are calculated from wave functions given by the onedimensional electron gas theory making allowance for the polarization of the π-electrons and the solvent. A quantitative agreement between predicted and observed shifts and intensity changes is found. It is concluded from our experiments that during the coating process of the second dye layer the dye molecules in this layer are able to diffuse within the layer to form pairs with the dye molecules fixed in the first layer.

2021 ◽  
Vol 3 (1) ◽  
Author(s):  
Berthold Jäck ◽  
Fabian Zinser ◽  
Elio J. König ◽  
Sune N. P. Wissing ◽  
Anke B. Schmidt ◽  
...  

2019 ◽  
Vol 18 (6) ◽  
pp. 1315-1323 ◽  
Author(s):  
Mette L. H. Sørensen ◽  
Tom Vosch ◽  
Bo W. Laursen ◽  
Thorsten Hansen

The photophysics of substituted BODIPY dyes, as well as the corresponding linear molecules, is captured by a simple Hückel model. The observed trend in the absorption spectra of chalcogen-substituted dyes can be rationalized in terms of the electronegativity of substituents.


1992 ◽  
Vol 11 (6) ◽  
pp. 917-927 ◽  
Author(s):  
T. Hanemann ◽  
M. C. Böhm ◽  
W. Haase ◽  
S. T. Wu

2020 ◽  
Vol 10 (11) ◽  
pp. 1917-1924
Author(s):  
Tshifhiwa Ranwaha ◽  
Ife Elegbeleye ◽  
Nnditshedzeni Maluta ◽  
Rapela Maphanga

Density functional theory simulations were employed to explore the geometric, electronic and optical properties of two croconate dye molecules adsorbed on TiO2 brookite nanocluster. The calculations were based on determination of conjugate length, absorption spectra and light harvesting efficiency. The absorption energies, absorption spectra and electronic states of the dye-TiO2 complex were calculated using TD/DFT. The analysis of the excited state properties shows that CR1 and CR2 showed excitation around 580 nm and 680 nm respectively with a corresponding maximum light harvesting efficiency of 66% and 33.9% for CR1 and CR2 respectively. The absorption wavelength support that the croconate dye molecules can improve the efficiency of DSSCs as they can absorb the near infrared photons which increases the absorption range of DSSCs on the solar spectrum. The adsorption energies of CR1 and CR2 on TiO2 brookite are 3.93 eV and 5.53 eV respectively, suggesting a stable grafting of the dyes onto the surface of the semiconductor. The shifting of the absorption wavelength towards the infrared region upon adsorption gives probability of more electron transport into the large band gap of TiO2.


RSC Advances ◽  
2014 ◽  
Vol 4 (61) ◽  
pp. 32117-32126 ◽  
Author(s):  
Cheng-Peng Chang

An analytical approach is developed to access the exact energy spectrum, wave functions, dipole matrix element (Mfi) and absorption spectra (A(ω)) of gated Bernal bilayer graphene.


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