通过基于机器人的合成和机器学习方法对多元金属化物矿的稳定性进行抗溶剂的高通量研究
Kate Higgins1, Maxim Ziatdinov2,3, Sergei V Kalinin2
1Institute for Advanced Materials and Manufacturing, Department of Materials Science and Engineering, The University of Tennessee Knoxville, Knoxville, Tennessee 37996, United States.
Journal of the American Chemical Society
|November 18, 2021
概括
抗溶剂的选择对金属化物矿 (MHP) 的稳定性产生重大影响. 这项研究使用了高吞吐量工作流程来显示不同抗溶剂如何随着时间的推移影响MHP的稳定性,从而揭示了材料质量的关键因素.
科学领域:
- 材料科学
- 化学工程
- 固态化学
背景情况:
- 抗溶剂结晶是制造高质量的金属化 (MHP) 材料的关键.
- 对抗溶剂如何影响MHP固有的稳定性缺乏系统的理解.
- 多组件MHP提供可调节的光电子特性,但需要控制的合成.
研究的目的:
- 研究不同抗溶剂对二元MHP系统内在稳定的影响.
- 建立一个高通量工作流程来探索抗溶剂对MHP稳定性的影响.
- 确定影响MHP降解或稳定性的动态过程.
主要方法:
- 开发了结合机器人合成,自动化表征和机器学习的高通量实验工作流程.
- 合成了15个组合图书馆 (大约 使用六个末端MHP.
- 使用托卢和作为抗溶剂的制造图书馆,然后进行自动光发光谱和NMF分析.
主要成果:
- 证明抗溶剂的选择对MHP在环境条件下的内在稳定性至关重要.
- 在二元MHP系统中促进稳定性或降解的特定抗溶剂.
- 由抗溶剂选择影响的时间和组成依赖的光电子特性.
结论:
- 在高质量的多组件MHP系统的合成中,抗溶剂的选择起着至关重要的作用.
- 了解抗溶剂作用对于控制MHP稳定性和防止降解至关重要.
- 开发的高吞吐量工作流可以有效地探索材料合成参数.
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