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11 papers · 1 filter
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…
Bayesian Model Selection of Lithium-Ion Battery Models via Bayesian Quadrature
Masaki Adachi, Yannick Kuhn, Birger Horstmann +3
A wide variety of battery models are available, and it is not always obvious which model `best' describes a dataset. This paper presents a Bayesian model selection approach using B…
Nonlinear electrochemical impedance spectroscopy for lithium-ion battery model parameterization
T. L. Kirk, A. Lewis-Douglas, D. A. Howey +2
In this work we analyse the local nonlinear electrochemical impedance spectroscopy (NLEIS) response of a lithium-ion battery and estimate model parameters from measured NLEIS data.…
The importance of electronic correlations in exploring the exotic phase diagram of layered LiMnO
Hrishit Banerjee, Clare P. Grey, Andrew J. Morris
Using ab initio dynamical mean-field theory we explore the electronic and magnetic states of layered LiMnO as a function of , the state of charge. Constructing real-spac…
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…