Charge attachment induced transport (CAIT) studies of energy landscapes in ion conducting solids (Quantification of populated site energy distribution in amorphous and crystalline materials)

离子导电固体中能量景观的电荷附着诱导输运 (CAIT) 研究（非晶态和晶体材料中聚集位点能量分布的量化）

• 批准号: 452876245
• 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/452876245?language=en
• 关键词: Charge; attachment; induced; transport; CAIT

The potential energy landscape of mobile ions in solid-state materials and the atomic scale structure are intimately interrelated and determine the function, e.g. ion transport. Within this project P1 of the research unit FOR5065 the potential energy landscape of ion conducting solids is investigated by a combination of the charge attachment induced transport (CAIT) and the time-of-flight secondary ion mass spectrometry (ToF-SIMS) techniques. The goal is the determination of site energy distributions in the solid as a function of the structural order, i.e. for amorphous, crystalline and bicrystalline states. As materials with model character the focus will be on lithium borates and strontium titanate and derivatives thereof. Within the CAIT technique alkali ions are attached to the samples leading to a charging up of the surface, the concomitant gradients of the electrochemical potential and the transport of the respective charge carrier within the sample. Foreign ions from the ion beam deplete and replace native ions in the direction of transport inside the sample causing concentration depth profiles. The concentration profiles are frozen and subsequently quantitatively analyzed by ToF-SIMS and modelled by means of the Nernst-Planck-Poisson NPP) transport theory. Initially the analysis is elaborated to yield experimental site energy distributions (SED) and populated parts of the SED (PSED). These are transferred to collaboration partners from theory (P5 Maass and P6 Jacob). Later, projects P5 and P6 will return theoretical SED and PSED as input for the NPP analysis within this project P1 (Weitzel). In parallel, the samples are also transferred to collaboration partner Volkert (P3) for atom probe tomography (APT) and Jooss (P4) for transmission electron microscopy (TEM) for detailed atomistic structure analysis. Furthermore, the samples are transferred to the Vogel (P2) group for NMR studies. The latter leads to a distribution of correlation which will be directly compared to the distribution of spatially dependent diffusion coefficients determined within this project.Ultimately, this work is expected to lead to an improved understanding of the potential energy landscape in ion conducting solids and its interrelation with atomistic structure and macroscopic transport function.

固态材料中移动的离子的势能分布和原子尺度结构密切相关，并决定了功能，例如离子传输。在研究单位FOR 5065的项目P1中，通过电荷附着诱导传输（CAIT）和飞行时间二次离子质谱（ToF-SIMS）技术的组合研究了离子导电固体的势能景观。我们的目标是作为一个功能的结构顺序，即无定形，结晶和双晶态的固体中的网站能量分布的测定。作为具有模型特性的材料，重点将放在硼酸锂和钛酸锶及其衍生物上。在CAIT技术中，碱金属离子附着到样品上，导致表面充电，电化学电势的伴随梯度和样品内相应电荷载流子的传输。来自离子束的外来离子在样品内部的传输方向上耗尽并取代原生离子，从而导致浓度深度分布。浓度分布被冻结，随后通过ToF-SIMS进行定量分析，并通过能斯特-普朗克-泊松NPP）输运理论进行建模。最初，详细分析以产生实验场地能量分布（SED）和SED的人口稠密部分（PSED）。这些从理论上转移到合作伙伴（P5 Maass和P6 Jacob）。随后，项目P5和P6将返回理论SED和PSED，作为本项目P1（Weitzel）内NPP分析的输入。与此同时，样品也被转移到合作伙伴Jumbert（P3）进行原子探针断层扫描（APT），Jooss（P4）进行透射电子显微镜（TEM）进行详细的原子结构分析。此外，将样品转移到Vogel（P2）组进行NMR研究。后者导致的相关性的分布，这将是直接比较的空间依赖性的扩散系数的分布确定在这个project. Finally，这项工作预计将导致更好地了解在离子导电固体的势能景观和它的相互关系与原子结构和宏观输运函数。