Abstract
In this work, we investigate the TD-DFT simulation, optical, and mirrorless laser properties of conjugated polymer (CP) Poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-(1,4-diphenylene-vinylene-2-methoxy-5-{2-ethylhexyloxy}-benzene)], also known as (PFO-co-PPV-MEHB) or ADS125GE. TD-DFT calculations were performed for three monomer units with truncated tails using time-dependent density functional theory (TD-DFT) calculations. The calculations showed a highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) structure and a very high oscillator strength of 6.434 for the singlet-singlet transition at 374.43 nm. Experimentally, the absorption and fluorescence spectra were examined at various concentrations in verity of solvents, such as benzene, toluene, and hexane. The experimental results obtained in hexane were comparable with theoretical UV-VIS spectra calculated under vacuum. Amplified spontaneous emission (ASE) spectra peaked at approximately 509 nm for CO PFO-co-PPV-MEHB in solution and were obtained at suitable concentrations and pump energies. Additionally, the photochemical stability of this CP and coumarin (C510) were compared. Time-resolved spectroscopy (TRS) studies with a sub-nanosecond resolution were performed for the CO under various pump energies. These results showed the excited state dynamics and single-pass optical gain of CO PFO-co-PPV-MEHB.
Highlights
Since their discovery [1,2], four decades of research has been performed on conjugated materials due to their captivating photophysical properties
The molecular structure of conjugated polymers (CPs) PFO-co-PPV-MEHB could be explained as a group of bridged structures
This difference could be attributed to the solvent dielectric constant and concentration of the CP in hexane
Summary
Since their discovery [1,2], four decades of research has been performed on conjugated materials (polymers and oligomers) due to their captivating photophysical properties. The properties of these special materials, such as high quantum yield, high chromophore density, large Stokes shift, wavelength tunability, and large optical gain, have been studied in depth [3] These extraordinary properties make these polymers ideal in many applications, such as in laser-active media [4,5,6,7,8] flexible FET (field-effect transistors) [9], photovoltaic devices [10], and photodiodes, as well as light-emitting diodes (LEDs) [9,10,11]. They studied the spectral temporal profile as well as ASE from the CP under different concentrations, solvent types, temperatures, and laser energy excitations using a Princeton. TRS studies display the ASE in 3D features, with the wavelength, spectral amplitude, and time as the X-, Y-, and Z-axes, correspondingly
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