兴奋剂
密度泛函理论
离子
材料科学
环境友好型
饱和(图论)
表征(材料科学)
化学工程
分析化学(期刊)
物理化学
无机化学
纳米技术
化学
光电子学
计算化学
有机化学
生态学
数学
组合数学
工程类
生物
作者
Le Wang,Shuqin Zhang,Yinyan Li,Liang Chen,Junjie Zhang,Shiqing Xu,Gongxun Bai
摘要
Rare earth sulfides are environmentally friendly and have excellent physical optoelectronic properties and coloring applications. In particular, red γ-Ce2S3 is an important and popular inorganic optical functional material. However, it has become crucial to improve the production efficiency of γ-Ce2S3 and its color performance and stability. By adding ammonium thiocyanate to the precursor, eco-friendly γ-Ce2S3 with excellent color performance was produced in this study. In addition, the effect of different amounts of Na+ doping on the final product's purity and the effect of chroma value were systematically investigated. Results show that an increase in Na+ can effectively lower the synthesis temperature of γ-Ce2S3, improve production efficiency, and optimize color performance prior to saturation. Finally, using density functional theory, the influence of the vacancy structure of γ-Ce2S3 and the change of energy band after the addition of Na+ were calculated, and a detailed experimental characterization in conjunction with density functional theory calculation thoroughly explained the significance of ion doping for reaction synthesis.
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