In situ study of diffusion-controlled phase formation and grain growth in functional Heusler/perovskite materials using multimodal synchrotron-based techniques

使用基于多模态同步加速器的技术对功能性 Heusler/钙钛矿材料中扩散控制相的形成和晶粒生长进行原位研究

• 批准号: 516426808
• 负责人: Dr. Ana Guilherme Buzanich, Ph.D.
• 金额: --
• 依托单位: Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden (IFW) e.V.
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/516426808?language=en
• 关键词: situ; study; diffusion; controlled; phase

The synthesis of a material with specific properties often requires a diffusion-controlled process in the solid state at elevated temperatures. The diffusion process enables the formation of a certain phase with a defined composition or a material with a certain structural order or promotes grain growth. The products of such a diffusion process are usually characterized ex situ under ambient conditions. If the synthesis route is still unknown, the investigation of the synthesis parameters becomes an iterative trial-and-error loop. This is where our project comes in, as it relies on the direct in-situ monitoring of the diffusion processes during the synthesis and growth of inorganic functional materials. As the iterative trial-and-error experiments for the synthesis of multicomponent systems are avoided, our study will efficiently save valuable resources and possibly even accelerate the discovery of new materials. To this end, this project pursues two directions: (1) In-situ monitoring of phase formation and grain growth of complex multicomponent materials at elevated temperatures using synchrotron-based techniques; (2) the implementation of a multimodal analytical approach with optimized "machine learning" -based data interpretation. We will focus on functional inorganic materials with strong property relationships, namely intermetallic Heusler alloys and oxide double perovskites, both with high spin polarization. We use these as model systems to study disorder phenomena and the growth of their nanoparticles (NPs) in carbon nanotubes (CNTs). The combination of the expertise between chemistry, physics and materials science provided by the applicants Dr. Ana Guilherme Buzanich (BAM) and Dr. Sabine Wurmehl (IFW) will help make the project a success through diverse scientific perspectives and skills. The project offers two very attractive PhD projects as it combines chemistry at the forefront of synthesis development and high-quality multimodal analysis techniques that will give the two PhD students a broad knowledge of interdisciplinary methodologies. Our results will be available to researchers across physical materials science that can be immediately applied to catalysis, energy-related materials, and other functional materials.

具有特定性质的材料的合成通常需要在高温下的固态中进行扩散控制的过程。扩散过程使具有特定成分的特定相的形成或具有特定结构有序的材料的形成或促进晶粒生长。在环境条件下，这种扩散过程的产物通常是异地表征的。如果合成路线仍然未知，合成参数的研究就变成了迭代试错循环。这就是我们的项目的用武之地，因为它依赖于对无机功能材料合成和生长过程中扩散过程的直接现场监测。由于避免了多组分体系合成的迭代试错实验，我们的研究将有效地节省宝贵的资源，甚至可能加速新材料的发现。为此，该项目追求两个方向：(1)使用基于同步加速器的技术对高温下复杂多组分材料的相形成和晶粒生长进行现场监测；(2)实施基于优化的基于机器学习的数据解释的多模式分析方法。我们将重点介绍与性质密切相关的功能无机材料，即金属间化合物Heusler合金和氧化物双钙钛矿，这两种材料都具有高自旋极化。我们用它们作为模型系统来研究无序现象及其纳米粒子在碳纳米管中的生长。申请者Ana Guilherme Buzanich博士(BAM)和Sabine Wurmehl博士(IFW)提供的化学、物理和材料科学方面的专业知识相结合，将通过不同的科学视角和技能帮助项目取得成功。该项目提供了两个非常有吸引力的博士项目，因为它结合了合成开发前沿的化学和高质量的多峰分析技术，这将使两名博士生对跨学科方法有广泛的了解。我们的结果将提供给物理材料科学的研究人员，这些科学可以立即应用于催化、能源相关材料和其他功能材料。