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Towards the Rational Design of Ni & Co free Chalcogen Anion Redox Cathode Materials

走向Ni的合理设计

基本信息

批准号：
2127519
负责人：
Leela Arava
金额：
$ 39.98万
依托单位：
Wayne State University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2021
资助国家：
美国
起止时间：
2021-09-01 至 2024-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2127519&HistoricalAwards=false
关键词：
Towards Rational Design Ni &amp

项目摘要

Global energy demands and a desire for decreased reliance on fossil fuels have intensified research toward large-scale energy storage capabilities. Even though many years of active research in Li-ion battery technologies, the current battery materials still rely heavily on conventional transition-metal cathode materials. These cathode materials have limited capacity, and geopolitical issues raise concerns over their continued availability. Recently, researchers have been exploring the so-called “Lithium-rich anion redox” cathode chemistry, where both transition metals and anions participate in the electrochemical redox reactions, resulting in significantly higher energy storage capability. Despite delivering high capacity, these Li-rich cathodes suffer from fundamental stability issues. This project seeks to gain the fundamental insights necessary for the design of next-generation low-cost and high-capacity cathode materials that are free from Nickel and Cobalt metals. For broader impacts, a specific outreach mission will be formed to provide research experience to the students in community colleges around Detroit, MI where the majority of students are from underrepresented groups. Li-rich anion-redox cathode chemistry is emerging as conventional cationic-redox of transition metal-based layered oxides are reaching their theoretical capacity limit. Though the combined redox of both anion and cation towards higher energy storage capability, the cathodes suffer from voltage fade, large voltage hysteresis, and irreversible oxygen release, which originate mysteriously from the anionic redox activity of oxygen ligand itself. The technical objective of this project is to construct a structural framework for Li-rich anion redox cathodes by tuning metal-ligand covalency using commercially viable metal-cations and less electronegative chalcogen ligands (sulfides and selenides). The proposed research is based on the hypothesis that the improved metal-ligand covalency can be achieved by bringing metal cation d-band close to chalcogen anion p-band in lithium-rich chalcogenide thereby utilizing highly reversible multi-electron redox chemistry. The successful outcome of the project is to elucidate the core understanding of lithiation (discharge)-delithiation (charge) kinetics in chalcogen anion redox compounds and anion redox induced structural transformation in various metal d-band and ligand p-band environments. Thus, this research aims to define fresh perspectives on chalcogen redox chemistry to advance the fundamental understanding of the next-generation cathode 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.

全球能源需求和减少对化石燃料依赖的愿望加强了对大规模储能能力的研究。尽管锂离子电池技术经过多年的积极研究，但目前的电池材料仍然严重依赖传统的过渡金属正极材料。这些阴极材料的容量有限，地缘政治问题引发了对其持续可用性的担忧。最近，研究人员一直在探索所谓的“富锂阴离子氧化还原”阴极化学，其中过渡金属和阴离子都参与电化学氧化还原反应，从而显著提高储能能力。尽管提供了高容量，但这些富锂阴极存在基本的稳定性问题。该项目旨在获得设计不含镍和钴金属的下一代低成本和高容量阴极材料所需的基本见解。为了产生更广泛的影响，将成立一个具体的外展使命，为密歇根州底特律市周围社区学院的学生提供研究经验，那里的大多数学生来自代表性不足的群体。富锂阴离子-氧化还原阴极化学是新兴的，因为传统的基于过渡金属的层状氧化物的阳离子-氧化还原达到其理论容量极限。虽然阴离子和阳离子的组合氧化还原向更高的能量储存能力发展，但阴极遭受电压衰减、大的电压滞后和不可逆的氧释放，这神秘地源于氧配体本身的阴离子氧化还原活性。该项目的技术目标是通过使用商业上可行的金属阳离子和电负性较小的硫属元素配体（硫化物和硒化物）调节金属配体的共价性来构建富锂阴离子氧化还原阴极的结构框架。所提出的研究是基于这样的假设，即可以通过使金属阳离子d-带接近富锂硫属化物中的硫属阴离子p-带，从而利用高度可逆的多电子氧化还原化学来实现改进的金属配体共价性。该项目的成功成果是阐明硫属阴离子氧化还原化合物中锂化（放电）-脱锂（充电）动力学的核心理解，以及各种金属d带和配体p带环境中阴离子氧化还原诱导的结构转变。因此，该研究旨在定义硫族元素氧化还原化学的新观点，以推进对下一代阴极材料的基本理解。该奖项反映了NSF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。