Understanding and Manipulating Charge and Entropy Flows in Layered Structured Transition Metal Dichalcogenides by and for Thermoelectricity: A Multi-scale Materials Chem. Approach

该项目由材料研究部的固态和材料化学计划赞助，其主要目标是通过研究其热电（TE）性能来了解和调整层状结构过渡金属二硫属化物（LTMD）中的电荷和熵流，以获得更高的TE性能。LTMD的结构简单性有助于理解电荷和熵流，而化学多功能性允许操纵它们的相互作用。在这个项目中，“材料模板”，LTMD，将通过替代掺杂，嵌入-脱嵌，剥离和热变形进行多尺度重组，然后详细研究晶体和缺陷化学，微观结构和TE特性。一个引人注目的话题涉及移动的离子嵌入LTMD，其中准二维多尺度离子微结构在热梯度下演化（即Sorét效应）。火花等离子体烧结，发射穆斯堡尔谱，并行热导率测量，和热台显微拉曼光谱将被用来促进拟议的research.NON-TECHNICAL摘要：本项目将采取的材料的过程中，由发现和材料的设计层结构的过渡金属二硫属化物（LTMD）。该项目产生的科学成果将提供关键的见解，以弥合热电材料（用于直接热能到电能转换的电子导体）和电解质材料（用于电池储能的离子导体）两个不同领域的能源相关材料研究。该研究计划建立在博士学位授予/研究型大学，非博士学位授予大学和国家实验室之间的密切合作基础上。研究活动与综合教育计划相结合，以满足国家在能源相关材料研究方面的需求。参与该项目的学生将学习使用各种设备，设施和材料合成，材料化学加工和材料表征技术。培训的主要部分将是单晶生长，正如国家研究理事会所强调的那样，这一学科“不仅导致了科学的进步，而且对整个社会作出了直接和重大的贡献”。此外，通过讲座、科学博览会和课堂演示向更广泛的公众传播科学成果将增强科学理解，并有望激发与能源相关的材料研究的新想法。

TECHNICAL SUMMARY:The primary objective of this project, sponsored by the Solid State and Materials Chemistry program of the Division of Materials Research, is to understand and tailor the charge and entropy flows in layer-structured transition metal dichalcogenides (LTMDs) by studying their thermoelectric (TE) properties in totality for higher TE performance. The structural simplicity of LTMDs facilitates an understanding of charge and entropy flows, while the chemical versatility allows for manipulating their interplay. In this project, the "material template", LTMDs, will be subject to multi-scale restructuring via substitutional doping, intercalation-deintercalation, exfoliation, and hot deformation, followed by detailed studies of crystal and defect chemistry, microstructures, and TE properties. A compelling topic involves mobile ion intercalated LTMDs, in which quasi-two-dimensional multi-scale ionic microstructures evolve under a thermal gradient (i.e. the Sorét effect). Spark plasma sintering, emission Mössbauer spectroscopy, parallel thermal conductivity measurements, and hot-stage micro-Raman spectroscopy will be used to facilitate the proposed research.NON-TECHNICAL SUMMARY:This project will take a course of materials-by-discovery and materials-by-design in layer structured transition metal dichalcogenides (LTMDs). The scientific results emanated from this project will provide key insights in order to bridge two different realms of energy-related materials research in thermoelectric materials (electronic conductors for direct heat-to-electricity energy conversion) and electrolyte materials (ionic conductors for energy storage in batteries). The research plan builds on a close collaboration between doctorate granting/research universities, non-doctorate granting universities, and national labs. The research activities are integrated with a comprehensive education plan to serve the nation's needs in energy-related materials research. The students involved in this project will learn to use various equipment, facilities, and techniques in materials synthesis, materials chemistry processing, and materials characterization. A major part of the training will be on single crystal growth, a discipline that "not only led to the advancement of science but also made a direct and significant contribution to society in general" as emphasized by the National Research Council. Furthermore, the dissemination of scientific results to the broader public through lectures, science fairs, and classroom demonstrations will enhance scientific understanding and hopefully stimulate new ideas in energy-related material research.