Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis
Abstract In this study, biopolymer composites based on chitosan (CS) with enhanced optical properties were functionalized using Manganese metal complexes and black tea solution dyes. The results indicate that CS with Mn2+-complexes can produce polymer hybrids with high absorption, high refractive in...
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Nature Portfolio
2025-01-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-025-87353-5 |
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| author | Dyari M. Mamand Dana S. Muhammad Daron Q. Muheddin Karzan A. Abdalkarim Dana A. Tahir Hawkar A. Muhammad Shujahadeen B. Aziz Sarkawt A. Hussen Jamal Hassan |
| author_facet | Dyari M. Mamand Dana S. Muhammad Daron Q. Muheddin Karzan A. Abdalkarim Dana A. Tahir Hawkar A. Muhammad Shujahadeen B. Aziz Sarkawt A. Hussen Jamal Hassan |
| author_sort | Dyari M. Mamand |
| collection | DOAJ |
| description | Abstract In this study, biopolymer composites based on chitosan (CS) with enhanced optical properties were functionalized using Manganese metal complexes and black tea solution dyes. The results indicate that CS with Mn2+-complexes can produce polymer hybrids with high absorption, high refractive index and controlled optical band gaps, with a significant reduction from 6.24 eV to 1.21 eV. The refractive index and optical dielectric constant measurements show that the doped CS films have more charge carriers and traps than those in pure CS films. The Lorentz-Drude model was used to derive several significant optical parameters, and the W-D model was utilized to calculate the optical moments M -1 changing from 0.35 to 2.13 and M -3 changing from 0.005 to 0.4. It was shown that the doped samples have larger Urbach energy than pure film, increased from 0.29 to 0.55 eV. Tauc and ASF model was also used to calculate the electronic transitions, band structure, and optical characteristics. Bandgap energy based on Tauc model at m = 2, 1/3, 1/2, and 2/3 are 1.77, 1.54, 1.47, and 1.37 eV, based on ASF model are 1.52, 1.42, 1.69, and 1.47 eV, respectively. As a result of changes in the optical diffraction parameters the optical mobility ( $${\mu }_{opt}$$ ) changed from 1.67 to 1.27 and optical resistivity $${\rho }_{opt}$$ from 9.36 × 10–27 to 4.0 × 10–29. The dopped samples show an increase in their linear optical susceptibility, third-order nonlinear optical susceptibility and nonlinear refractive indices, changing from 3.165 × 10–15 to 2.831 × 10–12 esu. Finally, light propagation velocities, surface resistance, and thermal emissivity were also examined. |
| format | Article |
| id | doaj-art-12f66c247b17422da84652723560c370 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-12f66c247b17422da84652723560c3702025-01-26T12:26:38ZengNature PortfolioScientific Reports2045-23222025-01-0115112810.1038/s41598-025-87353-5Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysisDyari M. Mamand0Dana S. Muhammad1Daron Q. Muheddin2Karzan A. Abdalkarim3Dana A. Tahir4Hawkar A. Muhammad5Shujahadeen B. Aziz6Sarkawt A. Hussen7Jamal Hassan8Department of Physics, College of Science, University of RaparinDepartment of Physics, College of Education, University of SulaimaniDepartment of Physics, College of Science, Charmo UniversityDepartment of Chemistry, College of Science, University of SulaimaniDepartment of Physics, College of Science, University of HalabjaDepartment of Physics, College of Science, Charmo UniversityTurning Trash to Treasure (TTT) Laboratory, Research and Development Center, University of SulaimaniPhysics Department, College of Science, University of SulaimaniDepartment of Physics, Khalifa University of Science and TechnologyAbstract In this study, biopolymer composites based on chitosan (CS) with enhanced optical properties were functionalized using Manganese metal complexes and black tea solution dyes. The results indicate that CS with Mn2+-complexes can produce polymer hybrids with high absorption, high refractive index and controlled optical band gaps, with a significant reduction from 6.24 eV to 1.21 eV. The refractive index and optical dielectric constant measurements show that the doped CS films have more charge carriers and traps than those in pure CS films. The Lorentz-Drude model was used to derive several significant optical parameters, and the W-D model was utilized to calculate the optical moments M -1 changing from 0.35 to 2.13 and M -3 changing from 0.005 to 0.4. It was shown that the doped samples have larger Urbach energy than pure film, increased from 0.29 to 0.55 eV. Tauc and ASF model was also used to calculate the electronic transitions, band structure, and optical characteristics. Bandgap energy based on Tauc model at m = 2, 1/3, 1/2, and 2/3 are 1.77, 1.54, 1.47, and 1.37 eV, based on ASF model are 1.52, 1.42, 1.69, and 1.47 eV, respectively. As a result of changes in the optical diffraction parameters the optical mobility ( $${\mu }_{opt}$$ ) changed from 1.67 to 1.27 and optical resistivity $${\rho }_{opt}$$ from 9.36 × 10–27 to 4.0 × 10–29. The dopped samples show an increase in their linear optical susceptibility, third-order nonlinear optical susceptibility and nonlinear refractive indices, changing from 3.165 × 10–15 to 2.831 × 10–12 esu. Finally, light propagation velocities, surface resistance, and thermal emissivity were also examined.https://doi.org/10.1038/s41598-025-87353-5Black tea dyeMetal complexBio-polymer compositeFTIR studyOptical and optoelectronic properties |
| spellingShingle | Dyari M. Mamand Dana S. Muhammad Daron Q. Muheddin Karzan A. Abdalkarim Dana A. Tahir Hawkar A. Muhammad Shujahadeen B. Aziz Sarkawt A. Hussen Jamal Hassan Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis Scientific Reports Black tea dye Metal complex Bio-polymer composite FTIR study Optical and optoelectronic properties |
| title | Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis |
| title_full | Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis |
| title_fullStr | Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis |
| title_full_unstemmed | Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis |
| title_short | Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis |
| title_sort | optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods a spectroscopic analysis |
| topic | Black tea dye Metal complex Bio-polymer composite FTIR study Optical and optoelectronic properties |
| url | https://doi.org/10.1038/s41598-025-87353-5 |
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