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5 papers · 2 filters
Anion-polarisation-directed short-range-order in antiperovskite LiFeSO
Samuel W. Coles, Viktoria Falkowski, Harry S. Geddes +10
Short-range ordering in cation-disordered cathodes can have a significant effect on their electrochemical properties. Here, we characterise the cation short-range order in the anti…
Temperature-Dependent Dynamic Disproportionation in LiNiO
Andrey D. Poletayev, Robert J. Green, Jack E. N. Swallow +10
Nickelate materials offer diverse functionalities for energy and computing applications. Lithium nickel oxide (LiNiO) is an archetypal layered nickelate, but the electronic str…
Diffusion-aware voltage source: An equivalent circuit network to resolve lithium concentration gradients in active particles
Mingzhao Zhuo, Niall Kirkaldy, Tom Maull +3
Traditional equivalent circuit models (ECMs) have difficulties in estimating battery internal states due to the lack of relevant physics, such as the lithium diffusion in active pa…
Oxygen Hole Formation Controls Stability in LiNiO Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries
A. R. Genreith-Schriever, H. Banerjee, A. S. Menon +4
Ni-rich cathode materials achieve both high voltages and capacities in Li-ion batteries but are prone to structural instabilities and oxygen loss via the formation of singlet oxyge…
Degradation model of high-nickel positive electrodes: Effects of loss of active material and cyclable lithium on capacity fade
Mingzhao Zhuo, Gregory Offer, Monica Marinescu
Nickel-rich layered oxides have been widely used as positive electrode materials for high-energy-density lithium-ion batteries, but their degradation has severely affected cell per…