Publications list

MSM Publications

Controlled hydroxy-fluorination reaction of anatase to promote Mg 2+ mobility in rechargeable magnesium batteries

Quantifying structure dependent responses in Li-ion cells with excess Li spinel cathodes: matching voltage and entropy profiles through mean field models

Formation of the Solid Electrolyte Interphase at Constant Potentials: a Model Study on Highly Oriented Pyrolytic Graphite

Correlated Polyhedral Rotations in the Absence of Polarons During Electrochemical Insertion of Lithium in ReO3

Oxidation states and ionicity

Modeling the Effects of Thermal Gradients Induced by Tab and Surface Cooling on Lithium Ion Cell Performance

Quick-start guide for first-principles modelling of semiconductor interfaces

Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes

Aligned Ionogel Electrolytes for High‐Temperature Supercapacitors

A State Observer Design for Simultaneous Estimation of Charge State and Crossover in Self-Discharging Disproportionation Redox Flow Batteries

pyscses: a PYthon Space-Charge Site-Explicit Solver

Incorporating Dendrite Growth into Continuum Models of Electrolytes: Insights from NMR Measurements and Inverse Modelling

Augmented State Observer for Simultaneous Estimation of Charge State and Crossover in Self-Discharging Disproportionation Redox Flow Batteries

crystal-torture: A crystal tortuosity module

The Cell Cooling Coefficient: A Standard to Define Heat Rejection from Lithium-Ion Batteries

Faster Lead-Acid Battery Simulations from Porous-Electrode Theory: I. Physical Model

Faster Lead-Acid Battery Simulations from Porous-Electrode Theory: II. Asymptotic Analysis

Smart and Hybrid Balancing System: Design, Modeling and Experimental Demonstration

The effect of cell-to-cell variations and thermal gradients on the performance and degradation of lithium-ion battery packs

Highly Anisotropic Thermal Transport in LiCoO2

Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12

Lithium-Ion Battery Fast Charging: A Review

Virtual unrolling of spirally-wound lithium-ion cells for correlative degradation studies and predictive fault detection

How to Cool Lithium Ion Batteries: Optimising Cell Design using a Thermally Coupled Model

Data-driven health estimation and lifetime prediction of lithium-ion batteries: A review

Control-oriented implementation and model order reduction of a Lithium-ion battery electrochemical model

Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and

Communication—Why High-Precision Coulometry and Lithium Plating Studies on Commercial Lithium-Ion Cells Require Thermal Baths

Electrochemical thermal-mechanical modelling of stress inhomogeneity in lithium-ion pouch cells

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Effect of Temperature on The Kinetics of Electrochemical Insertion of Li-Ions into a Graphite Electrode Studied by Kinetic Monte Carlo

Composition-dependent thermodynamic and mass-transport characterization of lithium hexafluorophosphate in propylene carbonate

Exploiting cationic vacancies for increased energy densities in dual-ion batteries

Global Sensitivity Analysis of the Single Particle Lithium-Ion Battery Model with Electrolyte

Battery Safety: Data-Driven Prediction of Failure

The effect of mechanical stress on lithium distribution and geometryoptimisation for multi-material lithium-ion anodes.

Lithium Intercalation Thermodynamics: Do We Think that We Understand Graphite?

An asymptotic derivation of a single particle model with electrolyte

Python Battery Mathematical Modelling (PyBaMM)

4D visualisation of in situ nano-compression of Li-ion cathode materials to mimic early stage calendering

Multiscale electrolyte transport simulations for lithium ion batteries

Generalised single particle models for high-rate operation of graded lithium-ion electrodes: systematic derivation and validation

Lithium Intercalation Edge Effects and Doping Implications for Graphite Anodes

Bayesian Parameter Estimation Applied to the Li-ion Battery Single Particle Model with Electrolyte Dynamics

A practical approach to large scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling DFT

Mechanics of the Ideal Double-Layer Capacitor

A Python Package to Preprocess the Data Produced by Novonix High-Precision Battery-Testers. Journal of Open Research Software

A Suite of Reduced-Order Models of a Single-Layer Lithium-ion Pouch Cell

Asymptotic Reduction of a Lithium-ion Pouch Cell Model

Modelling electrode heterogeneity in lithium-ion batteries: unimodal and bimodal particle-size distributions

Lithium Intercalation Edge Effects and Doping Implications for Graphite Anodes

Chemical Trends in the Lattice Thermal Conductivity of Li(Ni,Mn,Co)O2 (NMC) Battery Cathodes

Designer uniform Li plating/stripping through lithium–cobalt alloying hierarchical scaffolds for scalable high-performance lithium-metal anodes

In-situ fabrication of carbon-metal fabrics as freestanding electrodes for high-performance flexible energy storage devices

Development of Experimental Techniques for Parameterization of Multi-scale Lithium-ion Battery Models

Physical Origin of the Differential Voltage Minimum Associated with Lithium Plating in Li-Ion Batteries

Pores for thought: Generative adversarial networks for stochastic reconstruction of 3D multi-phase electrode microstructures with periodic boundaries

The electrode tortuosity factor: Why the conventional tortuosity factor is not well suited for quantifying transport in porous Li-ion battery electrodes and what to use instead

Parameterization of prismatic lithium–iron–phosphate cells through a streamlined thermal/electrochemical model

Derivation of an effective thermal electrochemical model for porous electrode batteries using asymptotic homogenisation

Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory

Electronic Structure Calculations in Electrolyte Solutions: Methods for Neutralization of Extended Charged Interfaces

Development of experimental techniques for parameterization of multi-scale LIB models

Lithium intercalation edge effects and doping implications for graphite anodes