Ganeshkumar, Lavan;
(2025)
Investigating the Effects of Doping Lithium Nickel Oxide.
Doctoral thesis (Ph.D), UCL (University College London).
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Abstract
The demand for energy is only ever increasing. Historically met using fossil fuels, this growing demand has led to global warming. The transportation sector is a significant contributor to global carbon emissions due to its heavy reliance on fossil fuels. As such, mitigating these emissions is imperative for combating climate change. One effective approach to address this challenge is to reduce the cost of sustainable energy solutions, thereby enabling their large-scale adoption. Energy storage systems have been pivotal in the transition to greener energy. Li-ion batteries have positioned themselves at the forefront of this battle, where they power vast amounts of portable electronics and electrical vehicles (EVs). Traditionally, these batteries have relied primarily on cobalt-based architectures for the cathodes. However, this reliance presents ethical and economic challenges. This thesis explores an alternative to cobalt-free cathode, LiNiO2 (LNO). Through first-principle calculations, we assess the intrinsic defect chemistry, followed by examining the effects on the defect landscape after having doped and co doped the cathode with magnesium and tungsten. Finally, we model the redox chemistry within the cathode at the extreme stages of delithiation. Our research findings are three fold. Firstly, our intrinsic defect study supports LNO’s inherent disorder. Secondly, we identified that magnesium has a great propensity to occupy either cationic site, whilst tungsten is unlikely to occupy either site in the bulk system. Finally, we successfully demonstrated that LNO’s disorder nucleates the formation of molecular oxygen.
| Type: | Thesis (Doctoral) |
|---|---|
| Qualification: | Ph.D |
| Title: | Investigating the Effects of Doping Lithium Nickel Oxide |
| Open access status: | An open access version is available from UCL Discovery |
| Language: | English |
| Additional information: | Copyright © The Author 2025. Original content in this thesis is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) Licence (https://creativecommons.org/licenses/by-nc/4.0/). Any third-party copyright material present remains the property of its respective owner(s) and is licensed under its existing terms. Access may initially be restricted at the author’s request. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10204068 |
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