Coordination Funds

协调基金

• 批准号: 452992871
• 负责人: Professor Dr. Karl-Michael Weitzel
• 金额: --
• 依托单位: Arbeitsgruppe Weitzel
• 依托单位国家: 德国
• 项目类别: Research Units
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/452992871?language=en
• 关键词: Coordination; Funds

The potential energy landscape of mobile ions in solid-state materials and the atomic scale structure are intimately interrelated. This interrelation and the resultant properties, e.g. the mobility of the ions, is of paramount interest in contemporary material science with direct applications in energy storage and conversion. Understanding the interplay of structure, energy landscape and ionic transport of ionic solids is of crucial importance for a knowledge-based development of improved and new functionalities of these materials.It is the aim of this initiative to quantify the energy distribution of ionic sites in solids on the basis of atomically resolved structures and in conjunction with ionic transport properties with a truly concerted effort of experimental and theoretical research groups. More specifically, amorphous solids and crystals with well-defined defects as well as polycrystalline systems or bi-crystals with grain-boundary dominated ionic transport shall be investigated. The focus will be on two different classes of materials where ionic mobility is of tantamount importance. The first class is alkali ion based materials with relevance for energy storage. The second class is perovskitic materials relevant for fuel cells. The joint effort will involve state-of-the-art expertise from diverse experiments [charge attachment induced transport (CAIT), solid-state nuclear magnetic resonance (NMR), atom probe tomography (APT) and analytical and high-resolution transmission electron microscopy (HR-TEM)], as well as dedicated solid-state matter theory for crystalline and amorphous materials. As a result of this initiative, we expect to be able to provide a unifying picture with predictive character of the interrelation between energy landscape, structure and ion transport in solid-state materials.

固态材料中移动的离子的势能分布与原子尺度结构密切相关。这种相互关系和由此产生的性质，例如离子的迁移率，在当代材料科学中具有直接应用于能量存储和转换的最大兴趣。理解结构的相互作用，能量景观和离子固体的离子输运是至关重要的知识-这一倡议的目的是在原子分辨结构的基础上，结合离子传输特性，通过实验和理论的真正协调努力，量化固体中离子位点的能量分布。研究团体。更具体地说，应研究具有明确缺陷的无定形固体和晶体以及具有晶界主导离子输运的多晶系统或双晶。重点将放在两种不同类型的材料，其中离子迁移率是同等重要的。第一类是与能量存储相关的基于碱离子的材料。第二类是与燃料电池相关的钙钛矿材料。这项共同努力将涉及来自不同实验的最先进的专业知识[电荷附着诱导传输（CAIT），固态核磁共振（NMR），原子探针断层扫描（APT）和分析和高分辨率透射电子显微镜（HR-TEM）]，以及结晶和非晶材料的专用固态物质理论。由于这一举措，我们希望能够提供一个统一的图片与预测的能量景观，结构和固态材料中的离子传输之间的相互关系的字符。