B-O-O-B 杂质诱导室温超长的玻里酸光
Yiting Song1, Xiujuan Duan1, Ya-Nan Jiang1
1School of Chemistry and Chemical Engineering, Shandong University, Jinan, Shandong 250100, People's Republic of China.
The journal of physical chemistry letters
|June 27, 2024
概括
纯酸 (BA) 呈现超长的室温光 (RTP),这是由于由脱的BA分子形成的B-O-O-B物种造成的. 这种RTP源于涉及O-O键断裂产生的B-O基的辐射过渡.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 摄影化学的使用.
背景情况:
- 有机材料中的超长室温光 (RTP) 具有显著的兴趣.
- 最近的一场辩论围绕着纯酸 (BA) 固体是否可以发射RTP及其起源.
研究的目的:
- 为了调查RTP在纯玻尿酸 (BA) 固体中的起源.
- 为了阐明在BA的RTP发射背后的机制.
主要方法:
- 第一个原则计算 (密度函数理论).
- 实验测量包括光学光谱 (吸收,光,光),X射线光电子光谱 (XPS) 和X射线吸收光谱 (XAS).
主要成果:
- 在BA中的RTP起源于一种 (H2BO3) 2物种中的B-O-O-B组,由脱的BA分子的光诱导聚合形成.
- B-O-O-B的计算光谱 (吸收,光,光) 与实验数据有很好的一致性.
- 实验XPS和XAS证实了BA中的B-O-O-B的存在.
- 在B-O-O-B中的O-O键在光学激发时断裂,形成B-O基.
- RTP源于B-O基的局部悬挂轨道和非局部化晶体散体轨道之间的辐射过渡.
- 计算的光寿命约为1秒,与实验观测结果一致.
结论:
- 确定B-O-O-B物种是纯酸中RTP的来源.
- 该机制涉及光刺激,O-O键解离,激素形成和随后的辐射衰变.
- 本研究解决了关于BA中RTP起源的辩论,并提供了详细的机制理解.
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