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The Value of Watching How Materials Grow: A Multimodal Case Study on Halide Perovskites

机译:观察材料的增长值:卤化物钙矿的多模态案例研究

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Material synthesis is one of the most important aspects in humankinds' endeavor to discover and create new materials for energy applications. One strategy to tailor materials with desired functions in a rational way is by knowing how functions relate to structure, synthetic variables, arrangement of atoms and molecules, and how functions evolve during synthesis. In order to accelerate materials synthesis, discovery, and optimization by 10 times it is the right time now to integrate computational tools, synthesis, and characterization. One particular barrier to realizing this concept is the understanding of when and how phases form in real time during synthesis, which is challenging to asses by existing theoretical frameworks. In addition, transient or metastable phases with positive free energy above the lowest-free energy ground state can be revealed by such real time (in situ) measurements. Metastable materials are ubiquitous in condensed matter and can show superior properties compared to their equilibrium form. This essay discusses the value of emerging multimodal in situ characterizations exemplified on hybrid halide perovskites. Finally, the ways in which the implementation of in situ measurements can advance the materials science synthesis field as well as their role to enable close-loop feedback control and autonomous synthesis are discussed.
机译:材料综合是人类努力发现和创造能源应用新材料中最重要的方面之一。以理性方式定制具有所需功能的材料的一种策略是通过了解如何与结构,合成变量,原子和分子的布置有何相关的方式,以及如何在合成期间进化。为了加速材料合成,发现和优化10次,现在是整合计算工具,合成和表征的正确时间。实现这一概念的一个特定障碍是了解何时以及如何在合成期间实时形成的何时以及如何,这是通过现有理论框架的判断具有挑战性。另外,可以通过如此实时(原位)测量来揭示具有高于无自由能量的瞬态或稳定性阶段。与其平衡形式相比,亚料材料在冷凝物中普遍存在,可以显示出优异的性质。本文讨论了杂交卤化物蠕动疫苗中阐述了原位特征的新出现多模式的价值。最后,在原位测量的实施方式可以提前材料科学综合领域以及它们以实现闭环反馈控制和自主合成的作用。

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