Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias

Polarized absorption, optical dielectric spectra, absorption excitation and emissions spectra of blended poly (N-carbazole) (PVK) with poly(vinylidene fluoride-co-hexafluoropropene) (PVDF-HFP) and polyvinylpyrrolidone (PVP) in the same composition have been investigated. The electronic structure has...

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Main Author:	Alias, Ahmad Nazib
Format:	Thesis
Language:	English
Published:	2014
Subjects:	Descriptive and experimental mechanics Physical and theoretical chemistry Analytical chemistry
Online Access:	https://ir.uitm.edu.my/id/eprint/40051/1/40051.pdf
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spelling	my-uitm-ir.400512022-07-12T02:47:19Z Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias 2014-03 Alias, Ahmad Nazib Descriptive and experimental mechanics Physical and theoretical chemistry Analytical chemistry Polarized absorption, optical dielectric spectra, absorption excitation and emissions spectra of blended poly (N-carbazole) (PVK) with poly(vinylidene fluoride-co-hexafluoropropene) (PVDF-HFP) and polyvinylpyrrolidone (PVP) in the same composition have been investigated. The electronic structure has been calculated using extrapolation of oligomer method by semiempirical Zerner Modified Intermediate Neglect of Differential Overlap (ZINDO) calculation. Polymer coating was carried out using doctor blade technique on a quartz substrate. Polarized absorption, optical dielectric spectra, absorption excitation and emission spectra reveal that there are significant different results obtained between PVK, PVK:PVP and PVK:PVDF-HFP. The electronic parameters such as absorption edge (Ee), allowed direct bandgap (Ed), allowed indirect bandgap (Ej) and Urbach edge (Eu) were calculated using Tauc/Davis-Mott Model. The dispersion behavior of polymer blending has been discussed using the Wemple-DiDomenico and Sellmeier model. The luminescence excitation and emission spectra have also been evaluated and results reveal that significant changes occur in the spectrum with different polymer blends. PVK:PVP has the highest emission intensity and low Stokes shift followed by PVK:PVDF-HfP and PVK. The existing state of gap was calculated using AC conductivity. This result has further been used to predict the factor that affected the recombination mechanism. The luminescence mechanism due to energy transfer has been supported using electronic calculation and Fourier transforms infrared spectroscopy. Resonance transfer of electronic excitation energy from sensitizer (donor) to activator (acceptor) has been modeled by using coupling resonance approach. The highest intensity of polymer blend (PVK:PVP) has futher been investigated by changing the composition ratio. The polymer blending systems consist of blended PVK with PVP (PVKPVP) in different weight ratios namely SI (9:1), S2 (8:2), S3 (7:3), S4 (6:4), S5 (5:5), and S6 (4:6). S5 show the maximum excitation and emission properties. The maximum of excitation and emission energy are discrepant non-linearly with the composition ratio. The emission spectra of Europium complex blended with PVK, PVK:PVDF-HfP and PVK:PVP has also been investigated. The emission spectra for all samples show the character of Eu complex. Eu complex blended with PVK shows the highest transition, followed by PVK:PVDF-HfP and PVK:PVP. This shows that the type of host polymer strongly depends upon the type of host polymer blended in Eu complex. Based on singlet-triplet energy levels and phosphorescence yield calculation, there are significant changes in the phosphorescence emission intensity when different host polymers are used. 2014-03 Thesis https://ir.uitm.edu.my/id/eprint/40051/ https://ir.uitm.edu.my/id/eprint/40051/1/40051.pdf text en public phd doctoral Universiti Teknologi MARA Faculty of Applied Science Yahya, Muhd Zu Azhan ( Prof. Dr. )
institution	Universiti Teknologi MARA
collection	UiTM Institutional Repository
language	English
advisor	Yahya, Muhd Zu Azhan ( Prof. Dr. )
topic	Descriptive and experimental mechanics Physical and theoretical chemistry Analytical chemistry
spellingShingle	Descriptive and experimental mechanics Physical and theoretical chemistry Analytical chemistry Alias, Ahmad Nazib Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
description	Polarized absorption, optical dielectric spectra, absorption excitation and emissions spectra of blended poly (N-carbazole) (PVK) with poly(vinylidene fluoride-co-hexafluoropropene) (PVDF-HFP) and polyvinylpyrrolidone (PVP) in the same composition have been investigated. The electronic structure has been calculated using extrapolation of oligomer method by semiempirical Zerner Modified Intermediate Neglect of Differential Overlap (ZINDO) calculation. Polymer coating was carried out using doctor blade technique on a quartz substrate. Polarized absorption, optical dielectric spectra, absorption excitation and emission spectra reveal that there are significant different results obtained between PVK, PVK:PVP and PVK:PVDF-HFP. The electronic parameters such as absorption edge (Ee), allowed direct bandgap (Ed), allowed indirect bandgap (Ej) and Urbach edge (Eu) were calculated using Tauc/Davis-Mott Model. The dispersion behavior of polymer blending has been discussed using the Wemple-DiDomenico and Sellmeier model. The luminescence excitation and emission spectra have also been evaluated and results reveal that significant changes occur in the spectrum with different polymer blends. PVK:PVP has the highest emission intensity and low Stokes shift followed by PVK:PVDF-HfP and PVK. The existing state of gap was calculated using AC conductivity. This result has further been used to predict the factor that affected the recombination mechanism. The luminescence mechanism due to energy transfer has been supported using electronic calculation and Fourier transforms infrared spectroscopy. Resonance transfer of electronic excitation energy from sensitizer (donor) to activator (acceptor) has been modeled by using coupling resonance approach. The highest intensity of polymer blend (PVK:PVP) has futher been investigated by changing the composition ratio. The polymer blending systems consist of blended PVK with PVP (PVKPVP) in different weight ratios namely SI (9:1), S2 (8:2), S3 (7:3), S4 (6:4), S5 (5:5), and S6 (4:6). S5 show the maximum excitation and emission properties. The maximum of excitation and emission energy are discrepant non-linearly with the composition ratio. The emission spectra of Europium complex blended with PVK, PVK:PVDF-HfP and PVK:PVP has also been investigated. The emission spectra for all samples show the character of Eu complex. Eu complex blended with PVK shows the highest transition, followed by PVK:PVDF-HfP and PVK:PVP. This shows that the type of host polymer strongly depends upon the type of host polymer blended in Eu complex. Based on singlet-triplet energy levels and phosphorescence yield calculation, there are significant changes in the phosphorescence emission intensity when different host polymers are used.
format	Thesis
qualification_name	Doctor of Philosophy (PhD.)
qualification_level	Doctorate
author	Alias, Ahmad Nazib
author_facet	Alias, Ahmad Nazib
author_sort	Alias, Ahmad Nazib
title	Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
title_short	Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
title_full	Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
title_fullStr	Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
title_full_unstemmed	Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias
title_sort	computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / ahmad nazib alias
granting_institution	Universiti Teknologi MARA
granting_department	Faculty of Applied Science
publishDate	2014
url	https://ir.uitm.edu.my/id/eprint/40051/1/40051.pdf
_version_	1783734557517807616

Computational and characterization studies of non-conjugated poly(nvinylcarbazole) blends as host polymer for phosphorescence emission / Ahmad Nazib Alias

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