scholarly journals Spectroscopic Studies of Mixed Amine Carbonyl Complexes ofd6Structure. II. Solvent Effect on the Ultraviolet and Visible Absorption Spectra of Diamine-tetracarbonyl Complexes of Chromium(0), Molybdenum(0) and Tungsten(0)

1968 ◽  
Vol 41 (4) ◽  
pp. 863-874 ◽  
Author(s):  
Hide Saito ◽  
Junnosuke Fujita ◽  
Kazuo Saito
2019 ◽  
Vol 233 (9) ◽  
pp. 1247-1259
Author(s):  
Madhu Prakasam

Abstract In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH3)2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10−30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH3)2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH3)2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.


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