Collaborative Research: Promoting or Suppressing Solid-State Phase Transformation via Interface Control

合作研究：通过界面控制促进或抑制固态相变

• 批准号: 1905404
• 负责人: Yue Qi
• 金额: $ 7.98万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-02-15 至 2020-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1905404&HistoricalAwards=false
• 关键词: Collaborative; Research; Promoting; Suppressing; Solid

NON-TECHNICAL DESCRIPTION: The renewable energy future, from electric vehicles to rechargeable personal devices, strongly depends on Li-ion energy storage technology. This project focuses on understanding and controlling processes in electrode materials that can allow for greater storage capacities but typically suffer from severe degradation due to changes in their solid-state structures. Most of the research, which involves both experimental and computational approaches, is designed to promote or suppress the solid-state phase change of the electrode by depositing a coating layer to impose chemical and mechanical constraints. The specific findings from this project, especially on suppressing the phase change, will enable low-cost, abundant, cobalt-free, high-capacity conversion electrodes with long cycle life for lithium-based batteries that are used in a variety of applications. The scientific advancement will stimulate the broader materials research community to explore the influence of interfacial controls on phase competition for many materials systems. Knowledge transfer is occurring through both public dissemination and direct interactions with industrial and national lab partners through the PIs’ research network. Furthermore, these research activities serve as an educational platform for students at all levels and from different backgrounds to develop interdisciplinary expertise by directly experiencing both computational and experimental methods through this collaborative research. TECHNICAL DETAILS: Pursuing both high lithium storage capacity and reversibility is a dilemma but also a crucial need as the renewable energy future, from electric vehicles to renewable power, strongly depends on Li-ion energy storage technology. This project will explore a new design principle to extend reversible intercalation reactions to higher lithium capacity by using surface modification and conformal coatings to suppress the irreversible solid-state phase transformations. Efforts at Michigan State University focus on developing a Density Functional Theory (DFT)-based multiscale modeling method to accurately predict phase evolution in the coated electrode. Efforts at University of Maryland will precisely control the surface layer with atomic layer deposition (ALD) to vary its chemistry, modulus, and thickness and perform electrochemical characterization. The collaborative efforts will determine atomistic origins of the competition between conversion and intercalation reactions during lithiation of conversion cathode materials and determine the coupled chemical-mechanical effect of the nanoscale coating layer on the competition of the two reactions. The scientific impact of this project goes beyond improved life and performance of conversion-type materials to the fundamental opportunity to understand how a material’s bulk reactions can be modulated through carefully designed interfacial control layers. Faculty from both Universities are working with students at all levels and from different backgrounds to expand educational outcomes to a broader research community.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.

非技术描述：可再生能源的未来，从电动汽车到可充电的个人设备，在很大程度上取决于锂离子储能技术。该项目的重点是理解和控制电子材料的过程，这些过程可以允许更大的存储容量，但由于其固态结构的变化，通常会遭受严重降解。涉及实验和计算方法的大多数研究旨在通过沉积涂层层施加化学和机械约束来促进或抑制电子的固态相变。该项目的具体发现，尤其是在抑制相变的方面，将使低成本，丰富，无钴，高容量转换电子具有长期循环寿命的基于锂的电池，这些电池可用于各种应用中。科学进步将刺激更广泛的材料研究界，以探索界面控制对许多材料系统阶段竞争的影响。知识转移是通过通过PIS的研究网络与工业和国家实验室合作伙伴直接与工业和国家实验室合作伙伴进行直接互动发生的。此外，这些研究活动是各个级别的学生以及不同背景的教育平台，通过直接通过这项协作研究直接体验计算和实验方法来发展跨学科专业知识。技术细节：追求高锂存储能力和可逆性是一个困境，但作为可再生能源未来（从电动汽车到可再生能源）的至关重要的需求，在很大程度上取决于锂离子储能技术。该项目将探索一种新的设计原理，通过使用表面修饰和共形涂层来抑制不可逆的固态相变，将可逆的插入反应扩展到更高的锂容量。密歇根州立大学的努力专注于开发基于密度功能理论（DFT）的多尺度建模方法，以准确预测涂层电极中的相位演变。马里兰州大学的努力将精确控制表面层，以原子层沉积（ALD）改变其化学，模量和厚度，并进行电化学表征。协作努力将确定转换阴极材料岩性期间转化和互插反应之间竞争之间竞争的原子起源，并确定纳米级涂层层对两种反应竞争的耦合化学机械效应。该项目的科学影响超出了改善转化型材料的寿命和性能到基本机会，以了解如何通过精心设计的界面控制层调节材料的大量反应。来自两所大学的教师都在与各个层面的学生合作，并从不同的背景与更广泛的研究社区扩展教育成果。该奖项反映了NSF的法定任务，并通过使用基金会的知识分子和更广泛的影响评估审查标准来评估，被认为是珍贵的支持。