Structural study of battery materials using synchrotron, neutron, and muon based techniques

使用同步加速器、中子和μ介子技术进行电池材料的结构研究

• 批准号: 1941810
• 金额: --
• 依托单位: University of Southampton
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2017
• 资助国家: 英国
• 起止时间: 2017 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1941810
• 关键词: Structural; study; battery; materials; using

The electrification of the powertrain and increasing adoption of battery powered vehicles is leading to cleaner transportation, especially in terms of local emissions. One of the key drivers for increased adoption of Li-ion batteries and their associated benefits is better battery materials, which store more energy, can be charged more quickly, are more durable. Johnson Matthey and the Harwell Innovation campus are looking to collaborate to provide an unprecedented level of structural understanding using complementary techniques available at the Harwell world class facilities. The use of advanced synchrotron, neutron and muon techniques will be applied to lithium battery materials to solve the chemical structure in order to understand key material properties and understand Li mobility. The results will be related to electrochemical performance and durability to inform design of next generation products. Literature evidence and in-house computational chemistry has found that Li mobility in a range of battery materials can be enhanced and also hindered by anti-sites defects or vacancies. The multipath Li mobility will be analysed by muon spectroscopy while the average distribution of anti-sites will be studied by neutron PDF. Local structural data will be obtained by EXAFS. The data from these techniques will be simultaneously analysed and interpreted to provide a definitive study relating structure to key battery application metrics. The outcome will serve to validate computational chemistry results and provide conclusive knowledge on changes in chemical structure in a small set of materials both ex-situ and in operando under the following categories:-intentional doping of elements to create anti-sites defects or vacancies altering Li mobility and electronic conductivity-chemical changes due to charge cycling resulting in elemental migration and/or gas evolution-nanostructural deterioration from volume expansion/contraction upon cycling

动力系统的电气化和越来越多地采用电池驱动的车辆正在导致更清洁的运输，特别是在本地排放方面。增加锂离子电池采用率及其相关好处的关键驱动因素之一是更好的电池材料，这些材料可以存储更多的能量，可以更快地充电，更耐用。约翰逊万丰和哈威尔创新园区正在寻求合作，利用哈威尔世界级设施提供的互补技术，提供前所未有的结构理解水平。先进的同步加速器、中子和μ子技术的使用将应用于锂电池材料，以解决化学结构问题，以了解关键材料特性并了解锂的迁移率。结果将与电化学性能和耐久性相关，为下一代产品的设计提供信息。文献证据和内部计算化学已经发现，锂在一系列电池材料中的迁移率可以被增强，也可以被反位缺陷或空位阻碍。多路径Li迁移率将通过μ子光谱分析，而反位的平均分布将通过中子PDF研究。EXAFS将获得局部结构数据。这些技术的数据将同时进行分析和解释，以提供一个明确的研究结构相关的关键电池应用指标。结果将用于验证计算化学结果，并提供关于以下类别的一小组材料的化学结构变化的结论性知识：-故意掺杂元素以产生反位缺陷或空位，从而改变Li迁移率和电子电导率-由于电荷循环导致元素迁移和/或气体析出的化学变化-循环时体积膨胀/收缩导致的纳米结构劣化