Tailoring optical and electrical properties of PVP-I2 complexes through gamma irradiation-induced structural defect Engineering for optoelectronic applications

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY
A.M. Elbasiony , Mohamed Madani , Mohamed Mohamady Ghobashy , Mohamed Shaban , Sarah Alharthi , Samera Ali Al-Gahtany , Nora Hamad Al-Shaalan , Waleed E. Boraie , Mohamed S. Attia , Sana F. Abaza , Aiyeshah Alhodaib , A.I. Sharshir
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Abstract

This study investigates the complexation of iodine with polyvinylpyrrolidone (PVP) subjected to gamma irradiation at doses of 0, 10, 20, and 30 kGy. The complex formation involves I2 acting as a Lewis acid with electron-rich PVP as a Lewis base through a charge transfer mechanism. UV–visible spectroscopy revealed a red shift of the absorption peak at 337 nm for irradiated PVP-I2 samples, indicating stronger interactions between the triiodide ion (I3¯) and irradiated PVP. FTIR analysis confirmed the formation of new C≡N moieties arising from PVP-I2 complexation. The FT-Raman analysis revealed a new C≡N peak at 2360 cm−1 in irradiated PVP-I2 samples, with increasing intensity correlating to higher irradiation doses, indicating enhanced electron delocalization due to complex formation. XRD analysis showed that PVP-I2 samples irradiated at 0 and 10 kGy exhibited higher crystallinity than those irradiated at 20 and 30 kGy, suggesting that high-dose irradiation causes PVP radiolysis and ring opening. Dielectric measurements demonstrated enhanced polarizability and ionic conductivity of irradiated PVP-I2 films, related to structural disorder promoting charge dissociation and ion mobility. The direct bandgap decreased from 2.75 eV for unirradiated samples to 2.55 eV for samples irradiated at 30 kGy, indicating the creation of new optically active defect states. Urbach energy increased from 0.85 eV to 1.55 eV with increasing irradiation dose, confirming increased disorder in the PVP structure. These findings reveal that gamma irradiation significantly alters the optical and electrical properties of PVP-I2 films by creating defects and disrupting structure, offering new insights for tailoring these materials for optoelectronic applications.

Abstract Image

通过伽马辐照诱导的结构缺陷工程定制 PVP-I2 复合物的光学和电学特性,用于光电应用
本研究探讨了碘与聚乙烯吡咯烷酮(PVP)在 0、10、20 和 30 kGy 剂量伽马辐照下的络合。复合物的形成涉及 I2 作为路易斯酸与富含电子的 PVP 作为路易斯碱通过电荷转移机制的作用。紫外可见光谱显示,辐照过的 PVP-I2 样品在 337 纳米处的吸收峰发生了红移,这表明三碘离子 (I3¯) 与辐照过的 PVP 之间的相互作用更强了。傅立叶变换红外光谱分析证实了 PVP-I2 复合物形成了新的 C≡N 分子。傅立叶变换拉曼分析表明,在辐照过的 PVP-I2 样品中,2360 cm-1 处出现了一个新的 C≡N 峰,强度随着辐照剂量的增加而增加,这表明络合物的形成增强了电子析出。XRD 分析表明,辐照剂量为 0 和 10 kGy 的 PVP-I2 样品比辐照剂量为 20 和 30 kGy 的样品具有更高的结晶度,这表明高剂量辐照会导致 PVP 发生辐射分解并开环。介电测量表明,辐照 PVP-I2 薄膜的极化性和离子导电性增强,这与促进电荷解离和离子迁移的结构紊乱有关。直接带隙从未经辐照样品的 2.75 eV 下降到 30 kGy 辐照样品的 2.55 eV,表明产生了新的光学活性缺陷态。随着辐照剂量的增加,Urbach 能量从 0.85 eV 上升到 1.55 eV,证实了 PVP 结构的无序性增加。这些发现揭示了伽马辐照通过产生缺陷和破坏结构显著改变了 PVP-I2 薄膜的光学和电学特性,为定制这些材料的光电应用提供了新的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Results in Chemistry
Results in Chemistry Chemistry-Chemistry (all)
CiteScore
2.70
自引率
8.70%
发文量
380
审稿时长
56 days
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