DMREF: Design of fast energy storage pseudocapacitive materials

DMREF：快速储能赝电容材料的设计

• 批准号: 2324326
• 负责人: Philippe Sautet
• 金额: $ 192.56万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-10-01 至 2027-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2324326&HistoricalAwards=false
• 关键词: DMREF; Design; fast; energy; storage

Non-technical Description: Electrical energy storage is essential to the energy transition and to the reduction of greenhouse gas emissions. While electricity storage in batteries has made significant progresses in recent years in terms of the amount of energy stored, one major challenge is the long time required for charging. Capacitors represent another class of electrical energy storage devices that can be charged very quickly. Such capacitive energy storage is an important technology for numerous applications where electrical energy needs to be stored and/or released quickly. However, current devices and materials can store only a limited amount of energy. The realization of capacitors that could store a large amount of electrical energy could have an enormous impact on energy storage for the electricity grid, for electric mobility solutions, and for consumer electronics. The project aims at designing novel capacitive materials that can greatly increase the energy storage of electrochemical capacitors with fast charging and discharging. The project’s societal impact lies in its contributions towards the decarbonization of the transportation sector which accounts for 29% of all greenhouse gas emission in the United States today. The scientific approach will be based on a material design loop including experiments and modeling in order to define the features of capacitive materials enabling high storage ability, in the spirit of the Materials Genome initiative and on a large computational screening of prospective materials to obtain candidates that will be tested experimentally. The project will also serve as a platform for the training of undergraduate and graduate students in topics related to energy storage and modeling. Advantage will be taken of the existing infrastructure at UCLA and Stanford University to attract talented, ethnically and culturally diverse undergraduate student populations to work on cutting-edge research. Technical Description: The aim of this research program is to tightly combine experimental and computational methods to identify a new generation of electrochemical energy storage materials based on pseudocapacitance, defined as a charge storage approach which uses fast and reversible surface or near surface redox reactions, and to construct a prototype device integrating the energy storage materials. While the underlying principles of pseudocapacitance are understood, there is currently no ability to predict or design materials that display pseudocapacitive behavior. A double design loop is proposed. The first one will operate at the atomic scale and will combine first principle electronic structure calculations with synthesis and testing. It will provide thermodynamics and kinetic information to the second level of design that will involve optimization of energy storage device configurations, combining continuum modeling and experimental synthesis and characterization. From this approach, an energy storage device will be demonstrated based on the developed pseudocapacitive materials. The project will bring fundamental understanding of the factors governing pseudocapacitive material performance and provide practical guidelines for the design of high performance energy storage materials and devices. The research will also have significant scientific merit by establishing the interrelationships among material structure, charge storage dynamics, and charge transfer processes.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：电能存储对于能量过渡和减少温室气体排放至关重要。尽管近年来，在存储的能源量方面，电池中的电气存储取得了重大进展，但一个主要挑战是充电所需的长期挑战。电容器代表了另一类的电源存储设备，可以很快地充电。对于众多应用，这种电容能量存储是一项重要技术，需要迅速存储和/或释放电能。但是，当前的设备和材料只能存储有限的能量。可以实现可以存储大量电能的电容器，可以增强对电网的能量存储，电动移动解决方案以及消费电子产品的影响。该项目旨在设计新型的电容材料，这些材料可以大大增加电容器的能源，并通过快速充电和放电。该项目的社会影响在于它对运输部门脱碳的贡献，该运输业今天占美国所有温室气体排放量的29％。科学方法将基于材料设计循环，包括实验和建模，以根据材料基因组倡议的精神和对前瞻性材料的大量计算筛选，以获取将经过实验测试的候选者的大量计算筛选。该项目还将作为培训与能源和建模有关的主题的本科生和研究生的平台。加州大学洛杉矶分校和斯坦福大学现有基础设施的优势将吸引，种族和文化上多样化的本科生群体，从事尖端研究。技术描述：该研究计划的目的是紧密结合实验和计算方法，以基于伪电容性的新一代电化学储能材料，定义为使用的电荷存储方法，该方法使用快速且可逆的表面或靠近表面的反应反应，并构造集成储能材料的原型设备。虽然了解伪电容的基本原则，但目前尚无预测或设计显示假能映射行为的材料。提出了双重设计循环。第一个将以原子量表运行，并将第一个主要电子结构计算与合成和测试相结合。它将为第二级设计提供热力学和动力学信息，其中涉及储能设备配置，结合连续建模和实验合成和表征。通过这种方法，将根据开发的假能材料来证明一种储能设备。该项目将对管理假能材料性能的因素有基本的了解，并为设计高性能存储材料和设备的设计提供实用的指南。这项研究还将通过在材料结构，电荷存储动态和电荷转移过程之间建立相互关系来具有重要的科学价值。该奖项反映了NSF的法定使命，并通过使用基金会的知识分子优点和更广泛的审查标准评估来诚实地获得支持。