Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites
Conducting poly orthophenylene diamine polymer (PoPDA) was synthesized via the oxidative polymerization route. A poly(o-phenylene diamine) (PoPDA)/titanium dioxide nanoparticle mono nanocomposite [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> was synthesized using the sol–gel method....
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-02-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/15/5/1111 |
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| author | M. Sh. Zoromba M. H. Abdel-Aziz A. R. Ghazy N. Salah A. F. Al-Hossainy |
| author_facet | M. Sh. Zoromba M. H. Abdel-Aziz A. R. Ghazy N. Salah A. F. Al-Hossainy |
| author_sort | M. Sh. Zoromba |
| collection | DOAJ |
| description | Conducting poly orthophenylene diamine polymer (PoPDA) was synthesized via the oxidative polymerization route. A poly(o-phenylene diamine) (PoPDA)/titanium dioxide nanoparticle mono nanocomposite [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> was synthesized using the sol–gel method. The physical vapor deposition (PVD) technique was successfully used to deposit the mono nanocomposite thin film with good adhesion and film thickness ≅ 100 ± 3 nm. The structural and morphological properties of the [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> thin films were studied by X-ray diffraction (XRD) and scanning electron microscope (SEM). The measured optical properties of the [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> thin films such as reflectance (R) in the UV–Vis-NIR spectrum, absorbance (Abs), and transmittance (T) were employed to probe the optical characteristics at room temperatures. As well as the calculations of TD-DFT (time-dependent density functional theory), optimization through the TD-DFTD/Mol<sup>3</sup> and Cambridge Serial Total Energy Bundle (TD-DFT/CASTEP) was employed to study the geometrical characteristics. The dispersion of the refractive index was examined by the single oscillator Wemple–DiDomenico (WD) model. Moreover, the single oscillator energy (<inline-formula><math display="inline" xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>E</mi><mi>o</mi></msub></mrow></semantics></math></inline-formula>), and the dispersion energy (Ed) were estimated. The obtained results show that thin films based on [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> can be utilized as a decent candidate material for solar cells and optoelectronic devices. The efficiency of the considered composites reached 19.69%. |
| first_indexed | 2024-03-11T07:13:45Z |
| format | Article |
| id | doaj.art-90b2ec90afb2408ab56f36419410d8db |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-11T07:13:45Z |
| publishDate | 2023-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-90b2ec90afb2408ab56f36419410d8db2023-11-17T08:26:16ZengMDPI AGPolymers2073-43602023-02-01155111110.3390/polym15051111Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> CompositesM. Sh. Zoromba0M. H. Abdel-Aziz1A. R. Ghazy2N. Salah3A. F. Al-Hossainy4Chemical and Materials Engineering Department, King Abdulaziz University, Rabigh 21911, Saudi ArabiaChemical and Materials Engineering Department, King Abdulaziz University, Rabigh 21911, Saudi ArabiaPhysics Department, Faculty of Science, Tanta University, Tanta 31527, EgyptCenter of Nanotechnology, King Abdulaziz University, Jeddah 21589, Saudi ArabiaChemistry Department, Faculty of Science, New Valley University, Al-Kharga 72511, EgyptConducting poly orthophenylene diamine polymer (PoPDA) was synthesized via the oxidative polymerization route. A poly(o-phenylene diamine) (PoPDA)/titanium dioxide nanoparticle mono nanocomposite [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> was synthesized using the sol–gel method. The physical vapor deposition (PVD) technique was successfully used to deposit the mono nanocomposite thin film with good adhesion and film thickness ≅ 100 ± 3 nm. The structural and morphological properties of the [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> thin films were studied by X-ray diffraction (XRD) and scanning electron microscope (SEM). The measured optical properties of the [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> thin films such as reflectance (R) in the UV–Vis-NIR spectrum, absorbance (Abs), and transmittance (T) were employed to probe the optical characteristics at room temperatures. As well as the calculations of TD-DFT (time-dependent density functional theory), optimization through the TD-DFTD/Mol<sup>3</sup> and Cambridge Serial Total Energy Bundle (TD-DFT/CASTEP) was employed to study the geometrical characteristics. The dispersion of the refractive index was examined by the single oscillator Wemple–DiDomenico (WD) model. Moreover, the single oscillator energy (<inline-formula><math display="inline" xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msub><mi>E</mi><mi>o</mi></msub></mrow></semantics></math></inline-formula>), and the dispersion energy (Ed) were estimated. The obtained results show that thin films based on [PoPDA/TiO<sub>2</sub>]<sup>MNC</sup> can be utilized as a decent candidate material for solar cells and optoelectronic devices. The efficiency of the considered composites reached 19.69%.https://www.mdpi.com/2073-4360/15/5/1111mono nanocompositenanostructure thin filmTD-DFT methodoptical properties |
| spellingShingle | M. Sh. Zoromba M. H. Abdel-Aziz A. R. Ghazy N. Salah A. F. Al-Hossainy Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites Polymers mono nanocomposite nanostructure thin film TD-DFT method optical properties |
| title | Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites |
| title_full | Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites |
| title_fullStr | Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites |
| title_full_unstemmed | Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites |
| title_short | Polymeric Solar Cell with 19.69% Efficiency Based on Poly(o-phenylene diamine)/TiO<sub>2</sub> Composites |
| title_sort | polymeric solar cell with 19 69 efficiency based on poly o phenylene diamine tio sub 2 sub composites |
| topic | mono nanocomposite nanostructure thin film TD-DFT method optical properties |
| url | https://www.mdpi.com/2073-4360/15/5/1111 |
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