Understanding Inorganic Solid State Reactivity for the Design of Functional Materials

了解无机固态反应性以设计功能材料

• 批准号: RGPIN-2020-06742
• 负责人: Bieringer, Mario
• 金额: $ 2.11万
• 依托单位: University of Manitoba
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2021
• 资助国家: 加拿大
• 起止时间: 2021-01-01 至 2022-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=740594
• 关键词: Understanding; Inorganic; Solid; State; Reactivity

Solid state metal oxides are widely used as functional materials due to their exceptional functional diversity and play vital roles in miniaturization and the design of highly efficient devices. This proposal requests funding for my synthesis and characterization research program concerned with the tailored design of functional solid state materials. The program has a unique focus on structure-reactivity relations in extended metal oxides. I am developing synthetic strategies using in-situ diffraction experiments capable of following solid state reactions in real time. This approach provides reaction schemes for our model systems that can be expanded to entire structural families. In addition to the discovery of intermediate phases during the synthesis we can quench and isolate those materials. My current research program clearly demonstrates the wealth of metastable functional materials that is accessible and would have been missed with high temperature solid state reactions only. I am focussing on the preparation of oxide defect structures for applications as solid state oxide electrolytes in solid state oxide fuel cells (SOFCs). SOFCs operate close to 1000°C and we are designing materials with higher oxide ion mobilities at lower temperatures. The interplay of vacancy ordered and disordered oxygen sublattices in those materials requires a deeper understanding of structure-reactivity relations, phase transitions and materials' stability under operating conditions. Using redox active metals in fluorite related structures we will investigate the creation and annihilation of oxide vacancies and their cooperative behaviour in real time. In addition we will prepare magnetic materials in order to generate spin liquids. Introducing competing interactions between magnetic moments through chemical and structural modifications allows us to probe magnetic interactions in 1, 2 and 3-dimensional lattices. We are using a wide variety of synthetic tools including low temperature topotactic reactions (fluorine insertion and solid state hydride reductions), high pressure synthesis, sol-gel and traditional high temperature solid state preparations. Our high temperature in-situ diffraction facility is capable of tracking solid state reactions in real time. Reaction pathways are clearly observable in those experiments and the results enable us to prepare bulk samples. We characterize structures in detail and evaluate their reactivities and physical properties. More advanced studies are carried out at synchrotron (APS, CLS) and neutron facilities (SNS, ILL, HFIR) using a suite of beamlines capable of following reactions at high rates, high resolution and high pressures. The proposed research program will provide unique training opportunities for students at the intersection of materials science, chemistry and physics and prepares graduates to be future leaders in Canada's research intensive economy.

固态金属氧化物因其独特的功能多样性而被广泛用作功能材料，在小型化和高效器件设计中起着至关重要的作用。该提案要求为我的合成和表征研究项目提供资金，该项目涉及功能固态材料的定制设计。该方案有一个独特的重点结构-反应性关系在扩展金属氧化物。我正在开发利用原位衍射实验的合成策略，能够实时跟踪固态反应。这种方法为我们的模型系统提供了反应方案，可以扩展到整个结构族。除了在合成过程中发现中间相外，我们还可以对这些材料进行淬火和分离。我目前的研究计划清楚地证明了亚稳态功能材料的丰富，这些材料是可获得的，并且仅通过高温固态反应可能会错过。我专注于氧化物缺陷结构的制备，用于固体氧化物燃料电池（sofc）中作为固体氧化物电解质的应用。sofc的工作温度接近1000°C，我们正在设计在较低温度下具有较高氧化物离子迁移率的材料。这些材料中空位有序和无序氧亚晶格的相互作用需要对结构-反应性关系、相变和材料在操作条件下的稳定性有更深入的了解。利用萤石相关结构中的氧化还原活性金属，我们将实时研究氧化空位的产生和湮灭及其协同行为。此外，我们将准备磁性材料，以产生自旋液体。通过化学和结构修饰引入磁矩之间的竞争相互作用，使我们能够探测1、2和3维晶格中的磁相互作用。我们正在使用各种各样的合成工具，包括低温拓扑反应（氟插入和固态氢化物还原），高压合成，溶胶-凝胶和传统的高温固体制备。我们的高温原位衍射设备能够实时跟踪固体反应。在这些实验中，反应途径清晰可见，结果使我们能够制备大量样品。我们详细地描述了结构，并评价了它们的反应性和物理性质。更先进的研究在同步加速器（APS， CLS）和中子设施（SNS， ILL， HFIR）上进行，使用一套能够在高速率，高分辨率和高压下跟踪反应的束线。拟议的研究项目将为材料科学、化学和物理交叉领域的学生提供独特的培训机会，并使毕业生成为加拿大研究密集型经济的未来领导者。