Thermoluminescence characteristics of UV-irradiated natural hackmanite

IF 3.1 2区化学 Q2 CHEMISTRY, ANALYTICAL Thermochimica Acta Pub Date : 2024-10-11 DOI:10.1016/j.tca.2024.179879

Chuchu Song , Qingfeng Guo , Yafang Wang , Libing Liao

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Abstract

Hackmanite has received extensive attention from scholars in recent years. However, there is still no report on the thermoluminescence properties of natural hackmanites under UV irradiation, as well as its relative electron trap and luminescence center. In this paper, the structural defects and thermoluminescence spectroscopic properties of hackmanite are comprehensively characterized by XRD, TL spectroscopy, SEM, EPR, XPS and Raman spectroscopy. The traps depth of TL peaks are calculated by computerized glow curve deconvolution (CGCD) techniques. And the charge transition energy levels of intrinsic defects in Na₈Al₆Si₆O₂₄(Cl,S)₂ are calculated by spin-polarized density-functional theory (DFT) in VASP. It shows that the low-temperature TL peaks of hackmanite are associated with Cl vacancies and photochromic properties. The high-temperature peak is caused by marginal oxygen vacancies. The results are conducive to deepening the understanding of structural defects of the hackmanites and linking the thermoluminescence with the phototropy.

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紫外线辐照天然黑云母的热致发光特性

近年来，黑云母受到了学者们的广泛关注。然而，关于天然 hackmanite 在紫外辐照下的热致发光特性，以及其相对电子阱和发光中心的研究，目前还没有相关报道。本文通过 XRD、TL 光谱、扫描电镜、EPR、XPS 和拉曼光谱对黑曼石的结构缺陷和热致发光光谱特性进行了综合表征。利用计算机辉光曲线解卷积（CGCD）技术计算了 TL 峰的阱深度。并在 VASP 中通过自旋极化密度泛函理论（DFT）计算了 Na8Al6Si6O24(Cl,S)2 中固有缺陷的电荷转换能级。结果表明，黑芒硝的低温 TL 峰与 Cl 空位和光致变色特性有关。高温峰是由边缘氧空位引起的。这些结果有助于加深对黑芒硝结构缺陷的理解，并将热致发光与光致变色联系起来。

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

Thermochimica Acta 化学-分析化学

CiteScore

6.50

自引率

8.60%

发文量

210

审稿时长

40 days

期刊介绍： Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes