CAREER: Harnessing Dynamic Dipoles for Solid-State Ion Transport

摘要：固态材料中的离子输运是一系列社会相关技术的基础。在美国国家科学基金会材料研究部固态和材料化学项目的支持下，首席研究员和她的研究小组研究了利用动态分子物种作为促进固态离子传输的设计原则。通过目标材料的发现，加上最先进的结构和分子动力学表征，该项目揭示了一类固态离子导体中丰富而复杂的离子传输机制，迄今为止还没有得到很多关注。鉴于固态离子输运在现代和新兴技术中必不可少和无处不在的作用，这项工作具有深远和变革性的基础和技术进步的潜力，例如在可再生能源技术、神经形态计算等领域。CAREER奖的另一部分是教育方面的努力，通过开发一个公开的视频系列，为不同教育水平和背景的观众提供材料化学概念的短集，吸引各级学习者。外展活动旨在通过针对丹佛大都会地区服务不足的高中的探究式材料化学侦探活动来扩大STEM的参与。技术摘要：掌握固态离子输运对于广泛的应用和技术至关重要，包括电池、燃料电池、神经形态计算等。该奖项由美国国家科学基金会材料研究部固态和材料化学项目支持，首席研究员建立了一类独特的固态离子导体和材料设计原则，扩展了围绕晶体固态离子传输中极化和分子动力学作用的现有范例。实验工作整合了目标材料的发现，通过x射线和中子全散射进行高级结构建模，以及动态和扩散的前沿表征，以了解动态，偶极物质如何促进固态离子在时间和长度尺度上的传输。教育工具和外展活动吸引学习者在材料化学的核心概念的各个层次。一个视频系列介绍了不同层次的技术细节的材料化学概念，可供不同层次的学习者使用。STEM外展旨在吸引来自服务不足学校的高中生参与基于探究性的材料探测游戏，在游戏中，学生探索和发展对固态材料的组成、原子级结构和可观察特性之间关系的理解。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Non-Technical Abstract:Ion transport in solid-state materials underpins a wide range of societally relevant technologies. With this CAREER award, supported by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, the principal investigator and her research group investigate the use of dynamic molecular species as a design principle to facilitate solid-state ion transport. Through targeted materials discovery coupled with state-of-the-art characterization of structure and molecular dynamics, this project unravels the rich and complex mechanisms of ion transport in a class of solid-state ion conductors that has not received a lot of attention so far. Given the essential and ubiquitous role of solid-state ion transport in modern and emerging technologies, this work holds the potential for far-reaching and transformative fundamental and technological advances, for example in the areas of renewable energy technology, neuromorphic computing, and beyond. Also part of this CAREER award are educational efforts to engage learners at all levels through development of a publicly available video series that presents materials chemistry concepts in short episodes for audiences of varying educational levels and backgrounds. Outreach activities seek to broaden participation in STEM through an inquiry-based materials chemistry detective activity aimed at underserved high schools in the Denver metro area.Technical Abstract:Mastery over solid-state ion transport is paramount for broad diversity of applications and technologies, including batteries, fuel cells, neuromorphic computing, and beyond. With this CAREER award, supported by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, the principal investigator establishes a unique class of solid-state ion conductors and materials design principles that expand the present paradigm surrounding the role of polarizability and molecular dynamics in ion transport in the crystalline solid state. Experimental efforts integrate targeted materials discovery, advanced structural modeling through X-ray and neutron total scattering, and cutting-edge characterization of dynamics and diffusion to understand how dynamic, dipolar species facilitate solid-state ion transport across time and length scales. Educational tools and outreach activities engage learners at all levels with core concepts in materials chemistry. A video series presents materials chemistry concepts at varying levels of technical detail that are accessible to learners at multiple levels. STEM outreach seeks to engage high school students from underserved schools in an inquiry-based materials detective game in which students explore and develop an understanding of the relationships between composition, atomic-level structure, and observable properties in solid-state materials.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.