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

Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings

Systematic derivation and validation of a reduced thermal-electrochemical model for lithium-ion batteries using asymptotic methods

Shifting-reference concentration cells to refine composition-dependent transport characterization of binary lithium-ion electrolytes

Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings

3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling

A Shrinking-Core Model for the Degradation of High-Nickel Cathodes (NMC811) in Li-Ion Batteries: Passivation Layer Growth and Oxygen

Microstructural Evolution of Battery Electrodes During Calendering

Communication—Prediction of Thermal Issues for Larger Format 4680 Cylindrical Cells and Their Mitigation with Enhanced Current Collection

Probing Heterogeneity in Li-Ion Batteries with Coupled Multiscale Models of Electrochemistry and Thermal Transport using Tomographic Domains

Scalable Multitask Latent Force Models with Applications to Predicting Lithium-ion Concentration

Optimal cell tab design and cooling strategy for cylindrical lithium-ion batteries: an experimental and modelling framework based on a 3D thermally coupled equivalent circuit network model

Lithium-Ion Battery Cathode and Anode Potential Observer Based on Reduced-order Electrochemical Single Particle Model

Optimal cell tab design and cooling strategy for cylindrical lithium-ion batteries

Potentiometric MRI of a SuperconcentratedLithium Electrolyte: Testing the IrreversibleThermodynamics Approach

Electrochemistry from first-principles in the grand canonical ensemble

High-Energy Nickel-Cobalt-Aluminium Oxide (NCA) Cells on Idle: Anode- versus Cathode-Driven Side Reactions

Multi-length scale microstructural design of lithium-ion battery electrodes for improved discharge rate performance

Parametrisation and use of a predictive DFN model for a high energy NCA/GrSiOx battery

DandeLiion v1: An extremely fast solver for the Newman model of lithium-ion battery (dis)charge

Heat Generation and a Conservation Law for Chemical Energy in Li-ion Batteries

Physical modelling of the slow voltage relaxation in lithium ion batteries

How Machine Learning Will Revolutionize Electrochemical Sciences

Generating 3D structures from a 2D slice with GAN-based dimensionality expansion

Charge transport modelling of Lithium-ion batteries

On Uncertainty Quantication in the Parametrization of Newman-type Models of Lithium-ion Batteries

Parameterising continuum level Li-ion battery models & the LiionDB database

Predicting battery end of life from solar off-grid system field data using machine learning

The challenge and opportunity of battery lifetime prediction from field data

Lithium-ion Battery Degradation: How to Model it

Mechanism of Li nucleation at graphite anodes and mitigation strategies

Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers

qTSL: a Multi-Layer Control Framework for Managing Capacity, Temperature, Stress and Losses in Hybrid Balancing Systems, IEEE Trans. on Control Systems Tech (in press)

A consensus-based distributed algorithm for multi-functional battery balancing

Battery Degradation-Aware Current Derating: An Effective Method to Prolong Lifetime and Ease Thermal Management

Multiscale coupling of surface temperature with solid diffusion in large lithium-ion pouch cells

A composite electrode model for lithium-ion battery with a silicon-graphite anode

Generalised diagnostic framework for rapid battery degradation quantification with deep learning

A coupled phase field formulation for modelling fatigue cracking in lithium-ion battery electrode particles

Assessing a novel approach to joint state-parameter estimation and optimal fast-charging based on polynomial ECMs

Cost and carbon footprint reduction of electric vehicle lithium-ion batteries through efficient thermal management

The Cell Cooling Coefficient as a design tool to optimise thermal management of lithium-ion cells in battery packs

Voltage Hysteresis Model for Silicon Electrodes for Lithium-ion Batteries, Including Multi-Step Phase Transformations, Crystallization and Amorphization

Finding a better fit for lithium-ion batteries: A simple, novel, load dependent, modified equivalent circuit model and parameterization method

Sodiation Of Hard Carbon: How Separating Enthalpy And Entropy Contributions Can Find Transitions Hidden In The Voltage Profile

The First Quantitative In-Operando Technique for Diagnosing Lithium-Ion Battery Degradation Modes under Load with Realistic Thermal Boundary Condiitions

Financial Viability of electric vehicle lithium-ion battery recycling

From Atoms to Cells: Multiscale Modeling of LiNi x Mn y Co z O 2 Cathodes for Li-Ion Batteries

Measuring Irrerversible Heat Generation in Lithium-Ion Batteries: An Experimental Metholodogy

Implementation for a cloud battery management system based on the CHAIN framework

Lithium-ion battery degradation: what you need to know

Interactions are important: Linking multi-physics mechanisms to the performance and degradation of solid-state batteries

Towards the digitalisation of porous energy materials: evolution of digital approaches for microstructural design

A Simple, novel, load dependent, modified equivalent circuit model and parameterization method

Li nucleation on the graphite anode under potential control in Li-ion batteries

Meta-analysis of experimental results for heat capacity and thermal conductivity in lithium-ion batteries: A critical review

Consolidated Theory of Fluid Thermodiffusion

Anisotropic Thermal Characterisation of Large-Format Lithium-Ion Pouch Cells

Liionpack: A Python package for simulating packs of batteries with PyBaMM

Operando ultrasonic Monitoring of Lithium-Ion Battery Temperature and Behaviour at Different Cycling Rates and under Drive Cycle Conditions

Cracking Predictions of Lithium-Ion battery electrodes by X-ray computed tomography and modelling

Highly Aligned Ultra-Thick Gel-Based Cathodes Unlocking Ultra-High Energy Density Batteries

Lithium-ion batteries under pulsed current operation to stabilize future grids

Peak-tracking method to quantify degradation modes in lithium-ion batteries via differential voltage and incremental capacity

Immersion cooling for lithium-ion batteries – A review

Review of parameterisation and a novel database (LiionDB) for continuum Li-ion battery models

Thermal-electrochemical parameters of a high energy lithium-ion cylindrical battery

Methods—Kintsugi Imaging of Battery Electrodes: Distinguishing Pores from the Carbon Binder Domain using PT Deposition

The Effects of Temperature and Cell Parameters on Lithium-Ion Battery Fast Charging Protocols: A Model-Driven Investigation

Thermal evaluation of lithium-ion batteries: Defining the cylindrical cell cooling coefficient

Modelling Solvent Consumption from SEI Layer Growth in Lithium-Ion Batteries

A continuum of physics-based lithium-ion battery models reviewed

Revealing the rate-limiting electrode of lithium batteries at high rates and mass loadings

Exploring the influence of porosity and thickness on lithium-ion battery electrodes using an image-based model

A greyscale erosion algorithm for tomography (GREAT) to rapidly detect battery particle defects

Entropy Profiling for the Diagnosis of NCA/Gr-SiOx Li-Ion Battery Health

A user-friendly lithium battery simulator based on open-source CFD

Current-driven solvent segregation in lithium-ion electrolytes

Ab-initio Study of Lithium Intercalation into a Graphite Nanoparticle

Principles of the Battery Data Genome

Thermal Management Optimization for Large-Format Lithium-Ion Battery Using Cell Cooling Coefficient

Lithium-Ion Battery Degradation: Measuring Rapid Loss of Active Silicon in Silicon–Graphite Composite Electrodes

MicroLib: A library of 3D microstructures generated from 2D micrographs using SliceGAN

Fusion of Complementary 2D and 3D Mesostructural Datasets Using Generative Adversarial Networks

Machine-Learning-Driven Advanced Characterization of Battery Electrodes

Methods—Kintsugi Imaging of Battery Electrodes: Distinguishing Pores from the Carbon Binder Domain using Pt Deposition

Higher corrections of the Ilkovich equation

Breaking it down: A techno-economic assessment of the impact of battery pack design on disassembly costs

A continuum model for lithium plating and dendrite formation in lithium-ion batteries: Formulation and validation against experiment

Structural electroneutrality in Onsager–Stefan–Maxwell transport with charged species

Sodiation energetics in pore size controlled hard carbons determined via entropy profiling energetics in pore size controlled hard carbons determined via entropy profiling

Artefact removal from micrographs with deep learning based inpainting†

Roadmap for a sustainable circular economy in lithium-ion and future battery technologies

Lithium-ion battery lifetime extension: A review of derating methods

2023 roadmap for potassium-ion batteries

Enabling battery digital twins at the industrial scale

How to enable large format 4680 cylindrical lithium-ion batteries

Learning Optimal Forms of Constitutive Relations Characterizing Ion Intercalation from Data in Mathematical Models of Lithium-Ion Batteries

Coupled electrochemical-thermal-mechanical stress modelling in composite silicon/graphite lithium-ion battery electrodes

The heating triangle: A quantitative review of self-heating methods for lithium-ion batteries at low temperatures

Effect of thermal gradients on inhomogeneous degradation in lithium-ion batteries

A Workflow for Identifying Viable Crystal Structures with Partially Occupied Sites Applied to the Solid Electrolyte Cubic Li7La3Zr2O12

Laplace Transform Methods for Transient Diffusion; or, Some Good Questions from Ralph White

Degradation in parallel-connected lithium-ion battery packs under thermal gradient

Diagnosing health in composite battery electrodes with explainable deep learning and partial charging data

A million cycles in a day: Enabling high-throughput computing of lithium-ion battery degradation with physics-based models

Is silicon worth it? Modelling degradation in composite silicon–graphite lithium-ion battery electrodes

Tuning the work function of graphite nanoparticles via edge termination

Lithium-ion battery model parametrisation: BatPar an all-in-one toolkit for equivalent circuit models

Internal temperature estimation for lithium-ion batteries through distributed equivalent circuit network model

Advancing state estimation for lithium-ion batteries with hysteresis through systematic extended Kalman filter tuning

A Standardised Potentiometric Method for the Effective Parameterisation of Reversible Heating in a Lithium-Ion Cell