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使用吸收光谱和导数光谱拟合方法对功能化壳聚糖生物聚合物杂化物中的光学带隙调制进行光谱分析。

Optical band gap modulation in functionalized chitosan biopolymer hybrids using absorption and derivative spectrum fitting methods: A spectroscopic analysis.

作者信息

Mamand Dyari M, Muhammad Dana S, Muheddin Daron Q, Abdalkarim Karzan A, Tahir Dana A, Muhammad Hawkar A, Aziz Shujahadeen B, Hussen Sarkawt A, Hassan Jamal

机构信息

Department of Physics, College of Science, University of Raparin, Sulaymaniyah, Kurdistan, Iraq.

Department of Physics, College of Education, University of Sulaimani, Old Campus, Sulaimani, 46001, Kurdistan, Iraq.

出版信息

Sci Rep. 2025 Jan 25;15(1):3162. doi: 10.1038/s41598-025-87353-5.

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 Mn-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 changing from 0.35 to 2.13 and M 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 ([Formula: see text]) changed from 1.67 to 1.27 and optical resistivity [Formula: see text] from 9.36 × 10 to 4.0 × 10. 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 to 2.831 × 10 esu. Finally, light propagation velocities, surface resistance, and thermal emissivity were also examined.

摘要

在本研究中,基于壳聚糖(CS)的具有增强光学性能的生物聚合物复合材料通过锰金属配合物和红茶溶液染料进行功能化处理。结果表明,含有锰配合物的CS能够制备出具有高吸收率、高折射率和可控光学带隙的聚合物杂化材料,光学带隙从6.24电子伏特显著降低至1.21电子伏特。折射率和光学介电常数测量结果表明,掺杂的CS薄膜比纯CS薄膜具有更多的电荷载流子和陷阱。使用洛伦兹 - 德鲁德模型推导了几个重要的光学参数,并利用W - D模型计算了光学矩M从0.35变化到2.13以及M从0.005变化到0.4。结果表明,掺杂样品的乌尔巴赫能量比纯薄膜更大,从0.29电子伏特增加到0.55电子伏特。还使用Tauc和ASF模型计算了电子跃迁、能带结构和光学特性。基于Tauc模型在m = 2、1/3、1/2和2/3时的带隙能量分别为1.77、1.54、1.47和1.37电子伏特,基于ASF模型分别为1.52、1.42、1.69和1.47电子伏特。由于光学衍射参数的变化,光迁移率([公式:见原文])从1.67变化到1.27,光电阻率[公式:见原文]从9.36×10变化到4.0×10。掺杂样品的线性光学极化率、三阶非线性光学极化率和非线性折射率有所增加,从3.165×10变化到2.831×10静电单位。最后,还研究了光传播速度、表面电阻和热发射率。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/07b2/11762305/fabf516eb4d8/41598_2025_87353_Fig1_HTML.jpg

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