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

点击翻译按钮获取中文摘要

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.