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在化 Perowskites 中离子的原子尺度成像

Wen Xu¹, Jiamu Liu², Bin Dong¹

¹Key Laboratory of New Energy and Rare Earth Resource Utilization of State Ethnic Affairs Commission, School of Physics and Materials Engineering, Dalian Minzu University, 18 Liaohe West Road, Dalian 116600, P. R. China.

Science advances

|September 1, 2023

概括

在合物矿中使用兰化物兴奋剂得到证实. 在CsPbCl3矿中的伊特离子 (Yb3+) 替代位,并占据间歇位置,澄清了用于改进光电应用的兴奋剂机制.

科学领域:

材料科学材料科学材料科学
固态化学固态化学
纳米技术纳米技术

背景情况:

添加兰化物化皮洛夫斯基特为光电子设备带来了希望.
矿结构中化离子的确切位置和存在仍在争论中.

研究的目的:

直接识别化 Perowskites 中化离子的原子级行为.
解决有关兰他尼德离子替代场所和兴奋剂机制的争议.

主要方法:

最先进的传输电子显微镜 (TEM).
在原子分辨率下进行三维原子探头断层扫描 (3D APT).
密度函数理论 (DFT) 建模.密度函数理论 (DFT) 建模.

主要成果:

在化 (CsPbCl3) 矿中直接原子尺度识别离子 (Yb3+).
有证据表明Yb3+同时取代Pb2+位点,并占据间隙格子位置.
在CsPbCl3单晶体内观察Yb3+聚类.

结论:

提供了对矿中兰化离子的兴奋机制的原子层次洞察.
解决了关于 CsPbCl3.3 中 Yb3+ 结合地点的模糊性.
通过受控的兴奋剂来优化矿性能,为未来的研究提供信息.

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