Fabrication, characterization and optical properties of poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film

Poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film [PpPDoAP] TF  was synthesized and prepared as a thin film with ≅ 100 ± 2 nm using the spin-coating method. Different characterization techniques for [PpPDoAP] TF like FTIR, UV–Vis spectroscopy, and optical properties have been studie...

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Veröffentlicht in:Applied physics. A, Materials science & processing Materials science & processing, 2021-04, Vol.127 (4), Article 278
Hauptverfasser: Al-Hossainy, Ahmed F., Zoromba, Mohamed Sh
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Zoromba, Mohamed Sh
description Poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film [PpPDoAP] TF  was synthesized and prepared as a thin film with ≅ 100 ± 2 nm using the spin-coating method. Different characterization techniques for [PpPDoAP] TF like FTIR, UV–Vis spectroscopy, and optical properties have been studied. The resulted x-ray diffraction (XRD) and scanning electron microscope (SEM) data have been employed to study interface composites. Density function theory (DFT) was used for optimization by DMol 3 and CASTEP. Spectroscopic and structural characteristics for the thin film have confirmed the chemical composition and XRD observations revealed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 71.87 nm and orthorhombic symmetry ( a  = 7.38(2); b  = 18.09(6); c  = 26.09(4) Å and α  =  β  =  γ  = 90°) with space group (P mcn ) for the thin film. It is found that the calculated energy gap by DFT and experimental method are 2.523 and 2.504 eV, respectively. The electronic transition of [PpPDoAP] TF  has direct allowed transition. Besides, the optoelectrical parameters have been calculated for the film like n ( λ ), k ( λ ), dielectric constant, and optical conductivity. CASTEP simulated values are consistent with the experimental values for optical parameters of [PpPDoAP] TF . The fabricated thin film can be used as a candidate material for optoelectronic devices and solar cells. Graphic abstract
doi_str_mv 10.1007/s00339-021-04434-8
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Different characterization techniques for [PpPDoAP] TF like FTIR, UV–Vis spectroscopy, and optical properties have been studied. The resulted x-ray diffraction (XRD) and scanning electron microscope (SEM) data have been employed to study interface composites. Density function theory (DFT) was used for optimization by DMol 3 and CASTEP. Spectroscopic and structural characteristics for the thin film have confirmed the chemical composition and XRD observations revealed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 71.87 nm and orthorhombic symmetry ( a  = 7.38(2); b  = 18.09(6); c  = 26.09(4) Å and α  =  β  =  γ  = 90°) with space group (P mcn ) for the thin film. It is found that the calculated energy gap by DFT and experimental method are 2.523 and 2.504 eV, respectively. The electronic transition of [PpPDoAP] TF  has direct allowed transition. Besides, the optoelectrical parameters have been calculated for the film like n ( λ ), k ( λ ), dielectric constant, and optical conductivity. CASTEP simulated values are consistent with the experimental values for optical parameters of [PpPDoAP] TF . The fabricated thin film can be used as a candidate material for optoelectronic devices and solar cells. 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A, Materials science &amp; processing</title><addtitle>Appl. Phys. A</addtitle><description>Poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film [PpPDoAP] TF  was synthesized and prepared as a thin film with ≅ 100 ± 2 nm using the spin-coating method. Different characterization techniques for [PpPDoAP] TF like FTIR, UV–Vis spectroscopy, and optical properties have been studied. The resulted x-ray diffraction (XRD) and scanning electron microscope (SEM) data have been employed to study interface composites. Density function theory (DFT) was used for optimization by DMol 3 and CASTEP. Spectroscopic and structural characteristics for the thin film have confirmed the chemical composition and XRD observations revealed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 71.87 nm and orthorhombic symmetry ( a  = 7.38(2); b  = 18.09(6); c  = 26.09(4) Å and α  =  β  =  γ  = 90°) with space group (P mcn ) for the thin film. It is found that the calculated energy gap by DFT and experimental method are 2.523 and 2.504 eV, respectively. The electronic transition of [PpPDoAP] TF  has direct allowed transition. Besides, the optoelectrical parameters have been calculated for the film like n ( λ ), k ( λ ), dielectric constant, and optical conductivity. CASTEP simulated values are consistent with the experimental values for optical parameters of [PpPDoAP] TF . The fabricated thin film can be used as a candidate material for optoelectronic devices and solar cells. 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The resulted x-ray diffraction (XRD) and scanning electron microscope (SEM) data have been employed to study interface composites. Density function theory (DFT) was used for optimization by DMol 3 and CASTEP. Spectroscopic and structural characteristics for the thin film have confirmed the chemical composition and XRD observations revealed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 71.87 nm and orthorhombic symmetry ( a  = 7.38(2); b  = 18.09(6); c  = 26.09(4) Å and α  =  β  =  γ  = 90°) with space group (P mcn ) for the thin film. It is found that the calculated energy gap by DFT and experimental method are 2.523 and 2.504 eV, respectively. The electronic transition of [PpPDoAP] TF  has direct allowed transition. Besides, the optoelectrical parameters have been calculated for the film like n ( λ ), k ( λ ), dielectric constant, and optical conductivity. CASTEP simulated values are consistent with the experimental values for optical parameters of [PpPDoAP] TF . The fabricated thin film can be used as a candidate material for optoelectronic devices and solar cells. Graphic abstract</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><doi>10.1007/s00339-021-04434-8</doi><orcidid>https://orcid.org/0000-0001-5531-6940</orcidid></addata></record>
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subjects Aminophenol
Applied physics
Characterization and Evaluation of Materials
Chemical composition
Condensed Matter Physics
Crystal structure
Crystallites
Density functional theory
Energy gap
Machines
Manufacturing
Materials science
Materials selection
Mathematical analysis
Nanostructure
Nanotechnology
Optical and Electronic Materials
Optical properties
Optimization
Optoelectronic devices
Parameters
Phenylenediamine
Photovoltaic cells
Physics
Physics and Astronomy
Processes
Solar cells
Spin coating
Surfaces and Interfaces
Thin Films
X-ray diffraction
title Fabrication, characterization and optical properties of poly(p-phenylenediamine- co–o-aminophenol) nanostructure thin film
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