Modelling degradation phenomena in LiNiO2 Project Description High-voltage materials are crucial to developing Li- batteries with high energy densities. A promising class of high-voltage materials are Ni-rich transition metal oxides such as lithium nickel manganese cobalt oxides (NMC). These cathode materials enable high operating voltages that can be tuned through controlling the materials’ Ni content. They tend to suffer, however, from structural instabilities. Phase transformations have been observed to cause battery degradation, e.g. a build-up in impedance and an overall loss in electrochemical performance. The mechanistic details of the structural transformations and how they impair electrochemical performance are to date unclear. Join the Faraday Undergraduate Summer Experience (FUSE) internship programme to learn more about extending battery lifetimes and about careers in the fields of battery technology and . In this project, we will model, using density functional theory and semi-empirical techniques, degradation phenomena in LiNiO2, a prototype material for NMC . The goal of this project is to identify and characterise the structural transformations occurring in the charge and discharge process. Due to the ongoing COVID-19 situation, the entire project will be running remotely.

Project Goals  Understanding of materials design principles for high-voltage cathodes  First experience with high-performance computing, submitting batch jobs  Running density functional theory calculations  Performing semi-empirical simulations  Analysis of structural data and electronic structures (densities of states) FUSE students will invited to participate in a Faraday Institution event to share their posters with UK battery researchers and industry partners. Prizes will be awarded.

Eligibility In order to partake in the project you must:  be a full-time registered undergraduate student at a UK university, and  undertake the internship within the years of undergraduate study (i.e. not be currently in your final year.

Funding A salary of £9.50/hour across the UK or £10.85/hour in London will be provided. This will be determined by the working address of the appointee not the university’s location. The internship is a full-time role for eight weeks beginning in early July. The funding is provided by The Faraday Institution.

Deadline To apply, please complete this survey by 25 April. For project information, please visit Battery Degradation – The Faraday Institution