Imperial College London


Faculty of EngineeringDepartment of Mechanical Engineering

MSM Research & Business Lead



+44 (0)20 7594 5803j.edge




409Mechanical EngineeringSouth Kensington Campus





Publication Type

19 results found

Xu Y, Titirici M, Chen J, Cora F, Cullen PL, Edge JS, Fan K, Fan L, Feng J, Hosaka T, Hu J, Huang W, Hyde T, Imtiaz S, Kang F, Kennedy T, Kim EJ, Komaba S, Lander L, Le Pham PN, Liu P, Lu B, Meng F, Mitlin D, Monconduit L, Palgrave RG, Qin L, Ryan KM, Sankar G, Scanlon DO, Shi T, Stievano L, Tinker HR, Wang C, Wang H, Wang H, Wu Y, Zhai D, Zhang Q, Zhou M, Zou Jet al., 2023, 2023 roadmap for potassium-ion batteries, JOURNAL OF PHYSICS-ENERGY, Vol: 5, ISSN: 2515-7655

Journal article

Lander L, Tagnon C, Nguyen-Tien V, Kendrick E, Elliott RJR, Abbott AP, Edge JS, Offer GJet al., 2023, Breaking it down: A techno-economic assessment of the impact of battery pack design on disassembly costs, Applied Energy, Vol: 331, Pages: 1-9, ISSN: 0306-2619

The electrification of the transport sector is a critical part of the net-zero transition. The mass adoption of electric vehicles (EVs) powered by lithium-ion batteries in the coming decade will inevitably lead to a large amount of battery waste, which needs handling in a safe and environmentally friendly manner. Battery recycling is a sustainable treatment option at the battery end-of-life that supports a circular economy. However, heterogeneity in pack designs across battery manufacturers are hampering the establishment of an efficient disassembly process, hence making recycling less viable. A comprehensive techno-economic assessment of the disassembly process was conducted, which identified cost hotspots in battery pack designs and to guide design optimisation strategies that help save time and cost for end-of-life treatment. The analyses include six commercially available EV battery packs: Renault Zoe, Nissan Leaf, Tesla Model 3, Peugeot 208, BAIC and BYD Han. The BAIC and BYD battery packs exhibit lower disassembly costs (US$50.45 and US$47.41 per pack, respectively), compared to the Peugeot 208 and Nissan Leaf (US$186.35 and US$194.11 per pack, respectively). This variation in disassembly cost is due mostly to the substantial differences in number of modules and fasteners. The economic assessment suggests that full automation is required to make disassembly viable by 2040, as it could boost disassembly capacity by up to 600 %, while substantially achieving cost savings of up to US$190 M per year.

Journal article

Edge J, Lander L, Brophy K, Hales Aet al., 2022, The value of modelling for battery development and use, The Value of Modelling for Battery Development and Use, Didcot/London, Publisher: Faraday Institution/Institute for Molecular Science and Engineering, Insight no.15/Briefing paper no. 8

Batteries are important enablers of clean energy and mobility, but improvements in performance,longevity, safety and sustainability are needed. Battery models used to design a product on acomputer save time and reduce the number of expensive physical prototypes needed. Computermodels at multiple scales consider not only the properties of materials, components and cells, butalso the impacts on pack functionality and across the lifecycle. Model simulations are often the onlypractical way to predict battery performance or battery failure, ensuring their safe and efficientoperation.


Brosa Planella F, Ai W, Boyce AM, Ghosh A, Korotkin I, Sahu S, Sulzer V, Timms R, Tranter TG, Zyskin M, Cooper SJ, Edge JS, Foster JM, Marinescu M, Wu B, Richardson Get al., 2022, A continuum of physics-based lithium-ion battery models reviewed, Progress in Energy, Vol: 4

Physics-based electrochemical battery models derived from porous electrode theory are a very powerful tool for understanding lithium-ion batteries, as well as for improving their design and management. Different model fidelity, and thus model complexity, is needed for different applications. For example, in battery design we can afford longer computational times and the use of powerful computers, while for real-time battery control (e.g. in electric vehicles) we need to perform very fast calculations using simple devices. For this reason, simplified models that retain most of the features at a lower computational cost are widely used. Even though in the literature we often find these simplified models posed independently, leading to inconsistencies between models, they can actually be derived from more complicated models using a unified and systematic framework. In this review, we showcase this reductive framework, starting from a high-fidelity microscale model and reducing it all the way down to the single particle model, deriving in the process other common models, such as the Doyle-Fuller-Newman model. We also provide a critical discussion on the advantages and shortcomings of each of the models, which can aid model selection for a particular application. Finally, we provide an overview of possible extensions to the models, with a special focus on thermal models. Any of these extensions could be incorporated into the microscale model and the reductive framework re-applied to lead to a new generation of simplified, multi-physics models.

Journal article

Wang AA, OKane SEJ, Brosa Planella F, Houx JL, ORegan K, Zyskin M, Edge J, Monroe CW, Cooper SJ, Howey DA, Kendrick E, Foster JMet al., 2022, Review of parameterisation and a novel database (LiionDB) for continuum Li-ion battery models, Progress in Energ, Vol: 4, Pages: 1-40, ISSN: 2516-1083

The Doyle–Fuller–Newman (DFN) framework is the most popular physics-based continuum-level description of the chemical and dynamical internal processes within operating lithium-ion-battery cells. With sufficient flexibility to model a wide range of battery designs and chemistries, the framework provides an effective balance between detail, needed to capture key microscopic mechanisms, and simplicity, needed to solve the governing equations at a relatively modest computational expense. Nevertheless, implementation requires values of numerous model parameters, whose ranges of applicability, estimation, and validation pose challenges. This article provides a critical review of the methods to measure or infer parameters for use within the isothermal DFN framework, discusses their advantages or disadvantages, and clarifies limitations attached to their practical application. Accompanying this discussion we provide a searchable database, available at, which aggregates many parameters and state functions for the standard DFN model that have been reported in the literature.

Journal article

Trotta F, Wang GJ, Guo Z, Xu Z, Ribadeneyra MC, Au H, Edge JS, Titirici MM, Lander Let al., 2022, A Comparative Techno-Economic and Lifecycle Analysis of Biomass-Derived Anode Materials for Lithium- and Sodium-Ion Batteries, ADVANCED SUSTAINABLE SYSTEMS, Vol: 6, ISSN: 2366-7486

Journal article

Kallitsis E, Lander L, Edge J, Bravo Diaz L, Brown A, Kelsall G, Offer G, Korre Aet al., 2022, Safe and sustainable lithium-ion batteries, Safe and Sustainable Lithium-ion Batteries, Publisher: Imperial College London - Energy Futures Lab

The transition to clean energy and electric mobility is driving unprecedented demand for lithium-ion batteries (LIBs). This paper investigates the safety and sustainability of LIBs, exploring ways of reducing their impact on the environment and ensuring they do not pose a danger to health of workers or users.


O'Kane SEJ, Ai W, Madabattula G, Alvarez DA, Timms R, Sulzer V, Edge JS, Wu B, Offer GJ, Marinescu Met al., 2022, Lithium-ion battery degradation: how to model it, Publisher: Royal Society of Chemistry

Predicting lithium-ion battery degradation is worth billions to the globalautomotive, aviation and energy storage industries, to improve performance andsafety and reduce warranty liabilities. However, very few published models ofbattery degradation explicitly consider the interactions between more than twodegradation mechanisms, and none do so within a single electrode. In thispaper, the first published attempt to directly couple more than two degradationmechanisms in the negative electrode is reported. The results are used to mapdifferent pathways through the complicated path dependent and non-lineardegradation space. Four degradation mechanisms are coupled in PyBaMM, an opensource modelling environment uniquely developed to allow new physics to beimplemented and explored quickly and easily. Crucially it is possible to see'inside' the model and observe the consequences of the different patterns ofdegradation, such as loss of lithium inventory and loss of active material. Forthe same cell, five different pathways that can result in end-of-life havealready been found, depending on how the cell is used. Such information wouldenable a product designer to either extend life or predict life based upon theusage pattern. However, parameterization of the degradation models remains as amajor challenge, and requires the attention of the international batterycommunity.

Working paper

Morgan LM, Islam MM, Yang H, O'Regan K, Patel AN, Ghosh A, Kendrick E, Marinescu M, Offer GJ, Morgan BJ, Islam MS, Edge J, Walsh Aet al., 2022, From Atoms to Cells: Multiscale Modeling of a LiNixMnyCozO2 Cathodes for Li-Ion Batteries, ACS ENERGY LETTERS, Vol: 7, Pages: 108-122, ISSN: 2380-8195

Journal article

Morgan LM, Mercer MP, Bhandari A, Peng C, Islam MM, Yang H, Holland J, Coles SW, Sharpe R, Walsh A, Morgan BJ, Kramer D, Saiful Islam M, Hoster HE, Edge JS, Skylaris CKet al., 2022, Pushing the boundaries of lithium battery research with atomistic modelling on different scales, Progress in Energy, Vol: 4

Computational modelling is a vital tool in the research of batteries and their component materials. Atomistic models are key to building truly physics-based models of batteries and form the foundation of the multiscale modelling chain, leading to more robust and predictive models. These models can be applied to fundamental research questions with high predictive accuracy. For example, they can be used to predict new behaviour not currently accessible by experiment, for reasons of cost, safety, or throughput. Atomistic models are useful for quantifying and evaluating trends in experimental data, explaining structure-property relationships, and informing materials design strategies and libraries. In this review, we showcase the most prominent atomistic modelling methods and their application to electrode materials, liquid and solid electrolyte materials, and their interfaces, highlighting the diverse range of battery properties that can be investigated. Furthermore, we link atomistic modelling to experimental data and higher scale models such as continuum and control models. We also provide a critical discussion on the outlook of these materials and the main challenges for future battery research.

Journal article

Lander L, Cleaver T, Rajaeifar MA, Viet N-T, Elliott RJR, Heidrich O, Kendrick E, Edge JS, Offer Get al., 2021, Financial viability of electric vehicle lithium-ion battery recycling, ISCIENCE, Vol: 24

Journal article

Lander L, Kallitsis E, Hales A, Edge JS, Korre A, Offer Get al., 2021, Cost and carbon footprint reduction of electric vehicle lithium-ion batteries through efficient thermal management, Applied Energy, Vol: 289, Pages: 1-10, ISSN: 0306-2619

Electric vehicles using lithium-ion batteries are currently the most promising technology to decarbonise the transport sector from fossil-fuels. It is thus imperative to reduce battery life cycle costs and greenhouse gas emissions to make this transition both economically and environmentally beneficial. In this study, it is shown that battery lifetime extension through effective thermal management significantly decreases the battery life cycle cost and carbon footprint. The battery lifetime simulated for each thermal management system is implemented in techno-economic and life cycle assessment models to calculate the life cycle costs and carbon footprint for the production and use phase of an electric vehicles. It is demonstrated that by optimising the battery thermal management system, the battery life cycle cost and carbon footprint can be reduced by 27% (from 0.22 $·km−1 for air cooling to 0.16 $·km−1 for surface cooling) and 25% (from 0.141 kg CO2 eq·km−1 to 0.104 kg CO2 eq·km−1), respectively. Moreover, the importance of cell design for cost and environmental impact are revealed and an improved cell design is proposed, which reduces the carbon footprint and life cycle cost by 35% to 0.0913 kg CO2 eq·km−1 and 40% to 0.133 $·km−1, respectively, compared with conventional cell designs combined with air cooling systems.

Journal article

Edge JS, O'Kane S, Prosser R, Kirkaldy ND, Patel AN, Hales A, Ghosh A, Ai W, Chen J, Yang J, Li S, Pang M-C, Bravo Diaz L, Tomaszewska A, Marzook MW, Radhakrishnan KN, Wang H, Patel Y, Wu B, Offer GJet al., 2021, Lithium ion battery degradation: what you need to know, Physical Chemistry Chemical Physics, Vol: 23, Pages: 8200-8221, ISSN: 1463-9076

The expansion of lithium-ion batteries from consumer electronics to larger-scale transport and energy storage applications has made understanding the many mechanisms responsible for battery degradation increasingly important. The literature in this complex topic has grown considerably; this perspective aims to distil current knowledge into a succinct form, as a reference and a guide to understanding battery degradation. Unlike other reviews, this work emphasises the coupling between the different mechanisms and the different physical and chemical approaches used to trigger, identify and monitor various mechanisms, as well as the various computational models that attempt to simulate these interactions. Degradation is separated into three levels: the actual mechanisms themselves, the observable consequences at cell level called modes and the operational effects such as capacity or power fade. Five principal and thirteen secondary mechanisms were found that are generally considered to be the cause of degradation during normal operation, which all give rise to five observable modes. A flowchart illustrates the different feedback loops that couple the various forms of degradation, whilst a table is presented to highlight the experimental conditions that are most likely to trigger specific degradation mechanisms. Together, they provide a powerful guide to designing experiments or models for investigating battery degradation.

Journal article

Chitre A, Freake D, Lander L, Edge J, Titirici M-Met al., 2020, Towards a More Sustainable Lithium-Ion Battery Future: Recycling LIBs from Electric Vehicles, BATTERIES & SUPERCAPS, Vol: 3, Pages: 1124-1125

Journal article

Chitre A, Freake D, Lander L, Edge J, Titirici M-Met al., 2020, Towards a more sustainable lithium-ion battery future: recycling LIBs from eectric vehicles, Batteries & Supercaps, Vol: 3, Pages: 1126-1136, ISSN: 2566-6223

With the number of electric vehicles (EVs) projected to increase 25-fold by 2030, effective recycling processes need to be developed to conserve the critical raw materials (in particular, cobalt and lithium) used to make lithium-ion batteries (LIBs). Industrial recycling of LIBs is underdeveloped due to two main reasons: i) complex and particularly variable cathodic chemistries; ii) physically different shapes and sizes of battery packs which are not designed for easy disassembly. Present processes use pyrometallurgical and/or hydrometallurgical recycling methods, with the latter being widely seen as the future in view of changing battery chemistries to lower cobalt contents. As such, this paper focuses on improvements, including sorting of batteries and using alternative water-soluble binders, to enhance LIB material recovery from hydrometallurgical processes. This review promotes the adoption of a holistic design approach for LIBs that includes ease of end-of-life recyclability.

Journal article

Edge J, Cooper SJ, Aguadero A, George C, Titirici M, Goddard Pet al., 2019, UK Research on Materials for Electrochemical Devices, JOHNSON MATTHEY TECHNOLOGY REVIEW, Vol: 63, Pages: 255-260, ISSN: 2056-5135

Journal article

Hanna RF, Gazis E, Edge J, Rhodes A, Gross Ret al., 2018, Unlocking the potential of Energy Systems Integration: An Energy Futures Lab Briefing Paper, Publisher: Energy Futures Lab

Energy Systems Integration’s (ESI) underlying concept is the coordination, and integration, of energy generation and use at local, regional and national levels. This relates to all aspects of energy from production and conversion to delivery and end use. Building such a system is potentially a cost-effective way to decarbonise our energy sector and produce a more reliable and resilient system. This Briefing Paper investigates how the UK can link heat, transport, electricity and other energy vectors into one interconnected ecosystem. It lays out the immense opportunities of having an interconnected and integrated energy ecosystem and the technologies that could make it a reality. Among these is enabling variable renewable electricity and lower-carbon fuels to provide energy services traditionally provided by higher-carbon sources. This could be realised through a more resilient system incorporating greater flexibility and more diverse energy sources.


Edge JS, Skipper NT, Fernandez-Alonso F, Lovell A, Srinivas G, Bennington SM, Garcia Sakai V, Youngs TGAet al., 2014, Structure and Dynamics of Molecular Hydrogen in the Interlayer Pores of a Swelling 2:1 Clay by Neutron Scattering, The Journal of Physical Chemistry C, Vol: 118, Pages: 25740-25747, ISSN: 1932-7447

Journal article


A new class of hydrogen storage material (HSM), the swelling clay minerals, is introduced by the investigation of laponite, a representative smectite. Simple ion exchange allows for a diverse range of charged species to be studied as possible adsorption sites for H2 within the laponite interlayer, while a sub-monolayer of water pillars the interlayers apart by 2.85 Å, close to the kinetic diameter of H2. Neutron diffraction shows that the 001 peak, representing the clay d-spacing, is directly affected by the introduction of H2 or D2, confirming intercalation into the interlayers.Volumetric adsorption isotherms and neutron scattering show that laponites with 3 wt% H2O rapidly physisorb 0.5-1 wt% H2 at 77 K and 80 bar, with low binding enthalpies (3.40-8.74 kJ mol-1) and consequently low room temperature uptake (0.1 wt% at 100 bar). The higher structural density of clays results in lower H2 densities than MOFs and activated carbons, however some cation-exchanged forms, such as Mg and Cs, show promise for improvement having capacities of 22.8 g H2 per litre at 77K, 80 bar, intermediate between AX-21 and IRMOF-20. At low coverage, INS spectra reveal up to five adsorption sites with low rotational energy barriers (0.7-4.8 kJ mol-1), persisting up to at least 50 K. Analysis of quasielastic neutron scattering (QENS) spectra for Ca-laponite expanded with 3 wt% H2O reveals two populations of interlayer H2: one immobile up to 100 K and localised to the Ca2+ cations, while the other diffuses by jump diffusion at a rate of 1.93 0.23 Å2 ps-1 at 80 K, 60% slower than in the bulk (Dbulk = 4.90 0.84 Å2 ps-1). Arrhenius analysis gives activation energies of 188 28 K for the calcium and 120 32 K for the sodium form, comparable to the range for activated carbons. The adsorbate phase density of H2 in laponite interlayers at 40 K is 67.08 kg m-3, close to the bulk liquid density of 70.6 kg m-3.Jump lengths of 3.2 0.4 Å for Ca-laponite measured by QENS at 40 K are

Thesis dissertation

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