What is the role of anion redox in the electrochemistry of oxysulfide cathode materials?

阴离子氧化还原在氧硫化物正极材料的电化学中起什么作用？

• 批准号: 2741703
• 金额: --
• 依托单位: University of Bath
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2741703
• 关键词: What; role; anion; redox; electrochemistry

Oxy-sulphide materials provide a route to earth abundant covered materials without the associated problems with pure oxides or the lower capacity pure sulphides. Further to this, bi-anionic cathode materials hold the possibility of higher stability and greater safety than other theoretical high capacity cathode materials. The first such materials are starting to emerge and while they do not at present match the properties of current leading materials their descendants have the potential to be cheap alternatives for both grid and automotive battery applications. This project will perform high throughput computational calculations alongside statistical mechanical modelling to understanding the fundamental physics and chemistry which underlies the synthesis and operation of both the current generation of oxysulfide cathode materials, and the broader trends which will define related developed over the coming decades.Prof. Saiful Islam is leading expert in computational materials science, his experience and wealth of knowledge will assist in steering the project alongside Dr Morgan. Prof. Islam has a strong specialism in linking cutting edge experimental and computational materials science and it is envisaged that he will play a key role in combing the results of this study with those of experimental collaborator in Britain and throughout the world into a compelling narrative, massively increasing the impact of the project. In spite of their strong collaborative research record Prof. Islam and Dr Morgan have different academic backgrounds providing me with the benefit of diverse opinions and philosophies in my training. The split in supervisory contributions will be 70% Dr. Morgan and 30% Prof. Islam.This project aligns well with Faraday Battery Challenge and its aims of developing next generation materials for the storage and transport of energy. In turn this aligns strongly with core mission of EPSRC in developing British knowledge and leadership in economically, societally, and scientifically significant frontiers of the Physical Sciences, as well as EPSRCs aims in training ECRs with skill sets relevant to both scientific and industrial endeavors.

硫氧化物材料提供了一条通往地球的丰富覆盖材料的途径，而不会出现与纯氧化物或较低容量的纯硫化物相关的问题。此外，与其他理论上的高容量正极材料相比，双阴离子正极材料具有更高的稳定性和更大的安全性。第一批这样的材料开始出现，尽管它们目前的性能不能与当前领先材料的性能相匹配，但它们的后代有可能成为电网和汽车电池应用的廉价替代品。该项目将进行高吞吐量的计算计算和统计机械建模，以了解当前一代硫氧化物阴极材料的合成和操作所依据的基本物理和化学原理，以及将定义未来几十年开发的相关技术的更广泛趋势。赛义夫·伊斯拉姆是计算材料科学方面的领先专家，他的经验和丰富的知识将有助于与摩根博士一起指导该项目。伊斯拉姆教授在连接尖端实验和计算材料科学方面有很强的专长，预计他将发挥关键作用，将这项研究的结果与英国和世界各地的实验合作者的结果结合起来，形成令人信服的叙述，极大地增加该项目的影响。尽管伊斯拉姆教授和摩根博士有着良好的合作研究记录，但他们有着不同的学术背景，这让我在培训中受益于不同的观点和哲学。监督捐款的比例将分别为70%的摩根博士和30%的伊斯兰教授。该项目与法拉第电池挑战及其开发用于储存和运输能源的下一代材料的目标非常一致。这反过来又与EPSRC在经济、社会和科学上具有重要意义的物理科学前沿领域发展英国知识和领导力的核心使命以及EPSRCs旨在培训ECR与科学和工业努力相关的技能集的核心使命高度一致。