Ahmad Nazib Alias

Universiti Teknologi MARA

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Zubainun Mohamed Zabidi

Universiti Teknologi MARA

Muhd Zu Azhan Yahya

National Defence University of Malaysia

Ab Malik Marwan Ali

Universiti Teknologi MARA

Mohamad Kamal Harun

Universiti Teknologi MARA

Intan Syaffinazzilla Zaine

Universiti Teknologi MARA

T. I. T. Kudin

National Defence University of Malaysia

Nurul Aimi Zakaria

Universiti Teknologi MARA

Siti Hajar Noor Alshurdin

Universiti Teknologi MARA

Yanti Yaacob

Universiti Teknologi MARA

N. F. M. Sahapini

Universiti Teknologi MARA

Cooperative Institutions

Universiti Teknologi MARA

Universiti Teknologi MARA System

National Defence University of Malaysia

University of Technology Malaysia

Faculty (United Kingdom)

Hospital Pulau Pinang

Universidade de São Paulo

Universidade Federal de São Carlos

Universiti Sains Malaysia

National University of Malaysia

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Optical Characterization of Luminescence Polymer Blends Using Tauc/Davis-Mott Model

Advanced materials research (2012)

Ahmad Nazib Alias T.T.I Kudin Zubainun Mohamed Zabidi Mohamad Kamal Harun Muhd Zu Azhan Yahya

The optical and electronic structures of poly (N-carbazole) (PVK) blend with poly(vinylidene fluoride-co-hexafluoropropene) (PVDF-HFP) and polyvinylpyrrolidone (PVP) in the same composition were investigated. Polymer coating was carried out using doctor blade technique on a glass substrate. Uv-vis and photoluminescence spectrum revealed 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 (Ei) and Urbach edge (Eu) were calculated by using Tauc/Davis-Mott Model. The value of Ee and Ed for PVK and PVK:PVDF-HFP almost same but there was significant different value between Eu and Ei.

Polyvinylpyrrolidone

Carbazole

Absorption edge

10.4028/www.scientific.net/amr.488-489.628

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Citations (19)

Optical Characterization and Properties of Polymeric Materials for Optoelectronic and Photonic Applications

Ahmad Nazib Alias Zubainun Mohamed Zabidi Mohamad Kamal Harun

The optical properties of polymers attract considerable attention because of their potential optoelectronic applications, such as in polymer-based light-emitting diodes, light electrochemical cells, and solar cells. To optimize the performance of optoelectronic and photonic devices, some polymers are modified through the

Characterization

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Supervised Machine Learning-Graph Theory Approach For Analyzing the Electronic Properties of Alkanes

Journal of the Turkish Chemical Society Section A Chemistry (2023)

Zubainun Mohamed Zabidi Nurul Aimi Zakaria Ahmad Nazib Alias

The combination of advanced scientific computing and quantum chemistry improves the existing approach in all chemistry and material science fields. Machine learning has revolutionized numerous disciplines within chemistry and material science. In this study, we present a supervised learning model for predicting the HOMO and LUMO energies of alkanes, which is trained on a database of molecular topological indices. We introduce a new moment topology approach has been introduced as molecular descriptors. Supervised learning utilizes artificial neural networks and support vector machines, taking advantage of the correlation between the molecular descriptors. The result demonstrate that this supervised learning model outperforms other models in predicting the HOMO and LUMO energies of alkanes. Additionally, we emphasize the importance of selecting appropriate descriptors and learning systems, as they play crucial role in accurately modeling molecules with topological orbitals.

Molecular graph

HOMO/LUMO

Molecular descriptor

Supervised Learning

10.18596/jotcsa.1166158

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Citations (1)

QSAR Studies on Nitrobenzene Derivatives using Hyperpolarizability and Conductor like Screening model as Molecular Descriptors

Journal of the Turkish Chemical Society Section A Chemistry (2022)

Ahmad Nazib Alias Zubainun Mohamed Zabidi

Quantitative structure-activity relationship (QSAR) models were useful in understanding how chemical structure relates to the toxicology of chemicals. In the present study, we report quantum molecular descriptors using conductor like screening model (COs) area, the linear polarizability, first and second order hyperpolarizability for modelling the toxicology of the nitro substituent on the benzene ring. All the molecular descriptors were performed using semi-empirical PM6 approaches. The QSAR model was developed using stepwise multiple linear regression. We found that the stable QSAR modelling of toxicology benzene derivatives used second order hyper-polarizability and COs area, which satisfied the statistical measures. The second order hyperpolarizability shows the best QSAR model. We also discovered that the nitrobenzene derivative’s substitutional functional group has a significant effect on the quantum molecular descriptors, which reflect the QSAR model.

Hyperpolarizability

Nitrobenzene

Quantum chemical

Molecular descriptor

Quantum Chemistry

Univariate

10.18596/jotcsa.1083840

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Optical Characterization of Thiophene Blending with Non-Conjugated Polymer at Different Composition

Advanced materials research (2013)

Ahmad Nazib Alias N. F. M. Sahapini Syed Haroon Khalid Zubainun Mohamed Zabidi

Thin film conducting polymer thiophene based that is poly(3,4-ethylenedioxythiophene): poly(styrene sulphonic acid) (PEDOT:PSS) blended with Polyaniline (PANi) have been prepared with different composition by using drop casting technique. The optical characterization has been done by analyzing the absorbance spectra in the wavelength 300 to 800 nm. The electronic parameters were calculated by using Tauc/Davis-Mott Model. The results obtained showed that the absorbance, optical energy and Urbach energy were dependence on the ratio of PEDOT: PSS to PANi compositions.

Absorbance

10.4028/www.scientific.net/amr.660.15

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Citations (4)

Electrophoretic Deposition of Functionalized Multi-Walled Carbon Nanotubes (f-MWCNTs)-Polyaniline (PANi)

Key engineering materials (2016)

Solehah Fahdil Siti Hajar Khalid Azmi Mohamad Yusof Marina Mokhtar Ahmad Nazib Alias

Electrophoretic deposition (EPD) is a technique that uses electric field to deposit particles onto a conductive substrate. In this study, EPD technique has been utilized for fabrication of acid functionalized multi-walled carbon nanotubes (f-MWCNTs) and polyaniline (PANi) or denoted as (f-MWCNTs-PANi) nanocomposite film. The nanocomposite was prepared using ex-situ synthesis. This study revealed that the f-MWCNTs and protonated PANi in dimethyl formamide (DMF) can be well dispersed with addition of magnesium nitrate hexahydrate, Mg (NO 3 ) 2 .6H 2 O. The fabricated films were characterized by Fourier Transform-Infrared Spectroscopy (FT-IR) and X-Ray Photoelectron Spectroscopy (XPS). Their surface morphologies were characterized by Field Emission Scanning Electron Microscope (FESEM) and Transmission Electron Microscope (TEM). FT-IR results indicate the presence of carboxyl groups in f-MWCNTs spectrum. The presence of PANi was detected in the spectrum of f-MWCNTs-PANi nanocomposite. These results were further supported by FESEM and TEM results that show the morphology of f-MWCNTs and PANi coating around their sidewalls. The use of Mg (NO 3 ) 2 .6H 2 O as dispersant for f-MWCNTs and protonated PANi allowed efficient EPD of their nanocomposite film fabrication. The fabricated f-MWCNTs-PANi composite thin film has future application in the development of supercapacitor device.

Electrophoretic Deposition

Field emission microscopy

10.4028/www.scientific.net/kem.701.33

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Citations (3)

Electrical Dielectric Permittivity and Conductivity Analysis of Poly(N-Carbazole) (PVK) Blending with Polyvinylpyrrolidone (PVP)

Key engineering materials (2018)

Ahmad Nazib Alias Zubainun Mohamed Zabidi Nur Azrini Ramlee Yanti Yaacob Siti Hajar Noor Alshurdin

Electrical dielectric spectra and alternating current (ac) conductivity of blended poly (N-vinlycarbazole) (PVK) with polyvinylpyrrolidone (PVP) at different temperature are investigated. The polymer blends were prepared by dissolving in dimethylformamide (DMF) using drop casting method and further dried in vacuum oven. The dielectric and ac conductivity of each sample was investigated using electrochemical impedance spectroscopy (EIS) method. Dielectric permittivity studies revealed that there are significant changes in the spectra at different temperature. The ac conductivity was further analyzed by using universal power law. The hopping parameter was calculated by using correlated barrier hopping model.

Polyvinylpyrrolidone

Dielectric loss

10.4028/www.scientific.net/kem.762.244

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Citations (1)

Halal Hazard Identification: Determination of Halal Hazard using Preliminary Halal Hazard Analysis

Deleted Journal (2021)

Ahmad Nazib Alias Zubainun Mohamed Zabidi

Identification

10.37231/jimk.2021.22.1.522

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Citations (4)

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

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 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 (PVKPVP) 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, PVKPVDF-FIfP and PVKPVP 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 PVKPVDF-HfP and PVKPVP. 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.

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General description of configurational coordinate model and kinetic of luminescence

Journal of Fundamental and Applied Sciences (2018)

Ahmad Nazib Alias Yanti Yaacob Zubainun Mohamed Zabidi Siti Hajar Noor Alshurdin N. A. Aini

The configuration coordinate model has been used to explain the luminescence behavior of luminescence materials.In order to understand the luminescence process, the configuration coordinate model has explored.We begin by describing some of the early obse interpretations of optical absorption and of luminescence.The absorption and emission process are involving the optical transition between two harmonic oscillators ground state and excited state.The principal emphasis is on radiative transit optical absorption and luminescent emission.Finally, the luminescence determination has examined to study the effect of concentration of excited species to the luminescence process.

Reaction coordinate

10.4314/jfas.v9i5s.40

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Citations (2)