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A derivation of the single particle model (SPM) is made from a porous electrode theory model (or Newman model) of half-cell (dis)charge for an electrode composed of uniformly sized spherical electrode particles of a single chemistry. The derivation uses a formal asymptotic method based on the disparity between the size of the thermal voltage and that of the characteristic change in overpotential that occurs during (de)lithiation. Comparison is made between solutions to the SPM and to the porous electrode theory (PET) model for NMC, graphite and LFP. These are used to identify regimes where the SPM gives accurate predictions. For most chemistries, even at moderate (dis)charge rates, there are appreciable discrepancies between the PET model and the SPM which can be attributed to spatial non-uniformities in the electrolyte. This motivates us to calculate a correction term to the SPM. Once this has been incorporated into the model its accuracy is significantly improved. Generalis
In this article, a novel implementation of a widely used pseudo-two-dimensional (P2D) model for lithium-ion battery simulation is presented with a transmission line circuit structure. This implementation represents an interplay between physical and e
One path to realizing systems of trapped atomic ions suitable for large-scale quantum computing and simulation is to create a two-dimensional array of ion traps. Interactions between nearest-neighbouring ions could then be turned on and off by tuning
The particle-hole map (PHM) is a tool to visualize electronic excitations, based on representations in a canonical orbital transition space. Introduced as an alternative to the transition density matrix, the PHM has a simple probabilistic interpretat
Electrolyte stability against oxidation is one of the important factors limiting the development of high energy density batteries. HOMO level of solvent molecules has been successfully used for understanding trends in their oxidative stability but as
The drying process is a crucial step in electrode manufacture as it can affect the component distribution within the electrode. Phenomena such as binder migration can have negative effects in the form of poor cell performance (e.g. capacity fade) or