A full list of publications to from the Multi-Scale Modelling project to October 2025 can be found here.

  1. Quantifying structure dependent responses in Li-ion cells with excess Li spinel cathodes: Matching voltage and entropy profiles through mean field models; Schlueter, S.; Genieser, R.; Richards, D.; Hoster, H.E.; Mercer, M.P.; Physical Chemistry Chemical Physics (July 2018) https://doi.org/10.1039/c8cp02989j
  2. Controlled hydroxy-fluorination reaction of anatase to promote Mg2+ mobility in rechargeable magnesium batteries; Ma, J.; Koketsu, T.; Morgan, B.J.; Legein, C.; Body, M.; Strasser, P.; Dambournet, D.; Chemical Communications (Aug 2018) https://doi.org/10.1039/c8cc04136a
  3. Formation of the Solid Electrolyte Interphase at Constant Potentials: A Model Study on Highly Oriented Pyrolytic Graphite; Antonopoulos, B.K.; Maglia, F.; Schmidt-Stein, F.; Schmidt, J.P.; Hoster, H.E.; Batteries and Supercaps (Sept 2018) https://doi.org/10.1002/batt.201800029
  4. Correlated Polyhedral Rotations in the Absence of Polarons during Electrochemical Insertion of Lithium in ReO3; Bashian, N.H.; Zhou, S.; Zuba, M.; Ganose, A.M.; Stiles, J.W.; Ee, A.; Ashby, D.S.; Scanlon, D.O.; Piper, L.F.J.; Dunn, B.; Melot, B.C.; ACS Energy Letters (Sept 2018) https://doi.org/10.1021/acsenergylett.8b01179
  5. Modeling the effects of thermal gradients induced by tab and surface cooling on lithium ion cell performance; Zhao, Y.; Patel, Y.; Zhang, T.; Offer, G.J.; Journal of the Electrochemical Society (Oct 2018) https://doi.org/10.1149/2.0901813jes
  6. Oxidation states and ionicity; Walsh, A.; Sokol, A.A.; Buckeridge, J.; Scanlon, D.O.; Catlow, C.R.A.; Nature Materials (Oct 2018) https://doi.org/10.1038/s41563-018-0165-7
  7. Quick-start guide for first-principles modelling of semiconductor interfaces; Park, J.-S.; Jung, Y.-K.; Butler, K.T.; Walsh, A.; JPhys Energy (Nov 2018) https://doi.org/10.1088/2515-7655/aad928
  8. 4D visualisation of: In situ nano-compression of Li-ion cathode materials to mimic early stage calendering; Daemi, S.R.; Lu, X.; Sykes, D.; Behnsen, J.; Tan, C.; Palacios-Padros, A.; Cookson, J.; Petrucco, E.; Withers, P.J.; Brett, D.J.L.; Shearing, P.R.; Materials Horizons (Dec 2018) https://doi.org/10.1039/c8mh01533c
  9. Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes; Burbano, M.; Duttine, M.; Morgan, B.J.; Borkiewicz, O.J.; Chapman, K.W.; Wattiaux, A.; Demourgues, A.; Groult, H.; Salanne, M.; Dambournet, D.; Journal of Physical Chemistry Letters (Dec 2018) https://doi.org/10.1021/acs.jpclett.8b03503
  10. Aligned Ionogel Electrolytes for High-Temperature Supercapacitors; Liu, X.; Taiwo, O.O.; Yin, C.; Ouyang, M.; Chowdhury, R.; Wang, B.; Wang, H.; Wu, B.; Brandon, N.P.; Wang, Q.; Cooper, S.J.; Advanced Science (Jan 2019) https://doi.org/10.1002/advs.201801337
  11. pyscses: a PYthon Space-Charge Site-Explicit Solver; Wellock, G.; Morgan, B.; Journal of Open Source Software (March 2019) https://doi.org/10.21105/joss.01209
  12. Incorporating dendrite growth into continuum models of electrolytes: Insights from NMR measurements and inverse modeling; Sethurajan, A.K.; Foster, J.M.; Richardson, G.; Krachkovskiy, S.A.; David Bazak, J.; Goward, G.R.; Protas, B.; Journal of the Electrochemical Society (May 2019) https://doi.org/10.1149/2.0921908jes
  13. crystal-torture: A crystal tortuosity module; O’Rourke, C.; Morgan, B. ; Journal of Open Source Software (June 2019) https://doi.org/10.21105/joss.01306
  14. Faster lead-acid battery simulations from porous-electrode theory: Part I. Physical model; Sulzer, V.; Chapman, S.J.; Please, C.P.; Howey, D.A.; Monroe, C.W.; Journal of the Electrochemical Society (July 2019) https://doi.org/10.1149/2.0301910jes
  15. Faster lead-acid battery simulations from porous-electrode theory: Part II. Asymptotic analysis; Sulzer, V.; Chapman, S.J.; Please, C.P.; Howey, D.A.; Monroe, C.W.; Journal of the Electrochemical Society (July 2019) https://doi.org/10.1149/2.0441908jes
  16. The cell cooling coefficient: A standard to define heat rejection from lithium-ion batteries; Hales, A.; Diaz, L.B.; Marzook, M.W.; Zhao, Y.; Patel, Y.; Offer, G.; Journal of the Electrochemical Society (July 2019) https://doi.org/10.1149/2.0191912jes
  17. Communication—why high-precision coulometry and lithium plating studies on commercial lithium-ion cells require thermal baths; Zülke, A.; Li, Y.; Keil, P.; Hoster, H.; Journal of the Electrochemical Society (Aug 2019) https://doi.org/10.1149/2.0841913jes
  18. How to cool lithium ion batteries: Optimising Cell Design using a Thermally Coupled Model; Zhao, Y.; Diaz, L.B.; Patel, Y.; Zhang, T.; Offer, G.J.; Journal of the Electrochemical Society (Aug 2019) https://doi.org/10.1149/2.0501913jes
  19. Virtual unrolling of spirally-wound lithium-ion cells for correlative degradation studies and predictive fault detection; Kok, M.D.R.; Robinson, J.B.; Weaving, J.S.; Jnawali, A.; Pham, M.; Iacoviello, F.; Brett, D.J.L.; Shearing, P.R.; Sustainable Energy and Fuels (Aug 2019) https://doi.org/10.1039/c9se00500e
  20. Lithium-ion battery fast charging: A review; Tomaszewska, A.; Chu, Z.; Feng, X.; O’Kane, S.; Liu, X.; Chen, J.; Ji, C.; Endler, E.; Li, R.; Liu, L.; Li, Y.; Zheng, S.; Vetterlein, S.; Gao, M.; Du, J.; Parkes, M.; Ouyang, M.; Marinescu, M.; Offer, G.; Wu, B.; eTransportation (Aug 2019) https://doi.org/10.1016/j.etran.2019.100011
  21. The effect of cell-to-cell variations and thermal gradients on the performance and degradation of lithium-ion battery packs; Liu, X.; Ai, W.; Naylor Marlow, M.; Patel, Y.; Wu, B.; Applied Energy (Aug 2019) https://doi.org/10.1016/j.apenergy.2019.04.108
  22. Highly Anisotropic Thermal Transport in LiCoO2; Yang, H.; Yang, J.-Y.; Savory, C.N.; Skelton, J.M.; Morgan, B.J.; Scanlon, D.O.; Walsh, A.; Journal of Physical Chemistry Letters (Sept 2019) https://doi.org/10.1021/acs.jpclett.9b02073
  23. Data-driven health estimation and lifetime prediction of lithium-ion batteries: A review; Li, Y.; Liu, K.; Foley, A.M.; Zülke, A.; Berecibar, M.; Nanini-Maury, E.; Van Mierlo, J.; Hoster, H.E.; Renewable and Sustainable Energy Reviews (Oct 2019) https://doi.org/10.1016/j.rser.2019.109254
  24. Electrochemical thermal-mechanical modelling of stress inhomogeneity in lithium-ion pouch cells; Ai, W.; Kraft, L.; Sturm, J.; Jossen, A.; Wu, B.; Journal of the Electrochemical Society (Oct 2019) https://doi.org/10.1149/2.0122001JES
  25. An asymptotic derivation of a single particle model with electrolyte; Marquis, S.G.; Sulzer, V.; Timms, R.; Please, C.P.; Jon Chapman, S.; Journal of the Electrochemical Society (Nov 2019) https://doi.org/10.1149/2.0341915jes
  26. Battery Safety: Data-Driven Prediction of Failure; Finegan, D.P.; Cooper, S.J.; Joule (Nov 2019) https://doi.org/10.1016/j.joule.2019.10.013
  27. Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements; Mercer, M.P.; Otero, M.; Ferrer-Huerta, M.; Sigal, A.; Barraco, D.E.; Hoster, H.E.; Leiva, E.P.M.; Electrochimica Acta (Nov 2019) https://doi.org/10.1016/j.electacta.2019.134774
  28. Multi-scale electrolyte transport simulations for lithium ion batteries; Hanke, F.; Modrow, N.; Akkermans, R.L.C.; Korotkin, I.; Mocanu, F.C.; Neufeld, V.A.; Veit, M.; Journal of the Electrochemical Society (Nov 2019) https://doi.org/10.1149/2.0222001JES
  29. Smart and Hybrid Balancing System: Design, Modeling, and Experimental Demonstration; De Castro, R.; Pinto, C.; Varela Barreras, J.; Araujo, R.E.; Howey, D.A.; IEEE Transactions on Vehicular Technology (Dec 2019) https://doi.org/10.1109/TVT.2019.2929653
  30. Effect of temperature on the kinetics of electrochemical insertion of li-ions into a graphite electrode studied by kinetic Monte Carlo; Gavilán-Arriazu, E.M.; Mercer, M.P.; Pinto, O.A.; Oviedo, O.A.; Barraco, D.E.; Hoster, H.E.; Leiva, E.P.M.; Journal of the Electrochemical Society (Dec 2019) https://doi.org/10.1149/2.0332001JES
  31. Descriptors for Electron and Hole Charge Carriers in Metal Oxides; Davies, D.W.; Savory, C.N.; Frost, J.M.; Scanlon, D.O.; Morgan, B.J.; Walsh, A.; Journal of Physical Chemistry Letters (Dec 2019) https://doi.org/10.1021/acs.jpclett.9b03398
  32. Native Defects and Their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12; Squires, A.G.; Scanlon, D.O.; Morgan, B.J.; Chemistry of Materials (Dec 2019) https://doi.org/10.1021/acs.chemmater.9b04319
  33. The Surface Cell Cooling Coefficient: A Standard to Define Heat Rejection from Lithium Ion Battery Pouch Cells; Hales, A.; Marzook, M.W.; Bravo Diaz, L.; Patel, Y.; Offer, G.; Journal of the Electrochemical Society (Jan 2020) https://doi.org/10.1149/1945-7111/ab6985
  34. Mechanics of the Ideal Double-Layer Capacitor; Monroe, C.W.; Journal of the Electrochemical Society (Feb 2020) https://doi.org/10.1149/1945-7111/ab6b04
  35. Composition-dependent thermodynamic and mass-transport characterization of lithium hexafluorophosphate in propylene carbonate; Hou, T.; Monroe, C.W.; Electrochimica Acta (Feb 2020) https://doi.org/10.1016/j.electacta.2019.135085
  36. Python Battery Mathematical Modelling (PyBaMM); Sulzer, V.; Marquis, S.G.; Timms, R.; Robinson, M.; Chapman, S.J.; ECSarXiv (Feb 2020) https://doi.org/10.1149/osf.io/67ckj
  37. A Python Package to Preprocess the Data Produced by Novonix High-Precision Battery-Testers; Gonzalez-Perez, V.; Keil, P.; Li, Y.; Zülke, A.; Burrel, R.; Csala, D.; Hoster, H.; Journal of Open Research Software (March 2020) https://doi.org/10.5334/jors.281
  38. Exploiting cationic vacancies for increased energy densities in dual-ion batteries; Koketsu, T.; Ma, J.; Morgan, B.J.; Body, M.; Legein, C.; Goddard, P.; Borkiewicz, O.J.; Strasser, P.; Dambournet, D.; Energy Storage Materials (March 2020) https://doi.org/10.1016/j.ensm.2019.10.019
  39. Parameterization of prismatic lithium–iron–phosphate cells through a streamlined thermal/electrochemical model; Chu, H.N.; Kim, S.U.; Rahimian, S.K.; Siegel, J.B.; Monroe, C.W.; Journal of Power Sources (March 2020) https://doi.org/10.1016/j.jpowsour.2020.227787
  40. Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory; Dziedzic, J.; Bhandari, A.; Anton, L.; Peng, C.; Womack, J.C.; Famili, M.; Kramer, D.; Skylaris, C.-K.; Journal of Physical Chemistry C (March 2020) https://doi.org/10.1021/acs.jpcc.0c00762
  41. Generalised single particle models for high-rate operation of graded lithium-ion electrodes: Systematic derivation and validation; Richardson, G.; Korotkin, I.; Ranom, R.; Castle, M.; Foster, J.M.; Electrochimica Acta (April 2020) https://doi.org/10.1016/j.electacta.2020.135862
  42. Lithium intercalation edge effects and doping implications for graphite anodes; Peng, C.; Mercer, M.P.; Skylaris, C.-K.; Kramer, D.; Journal of Materials Chemistry A (April 2020) https://doi.org/10.1039/c9ta13862e
  43. Derivation of an effective thermal electrochemical model for porous electrode batteries using asymptotic homogenisation; Hunt, M.J.; Brosa Planella, F.; Theil, F.; Widanage, W.D.; Journal of Engineering Mathematics (April 2020) https://doi.org/10.1007/s10665-020-10045-8
  44. 3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling; Lu, X.; Bertei, A.; Finegan, D.P.; Tan, C.; Daemi, S.R.; Weaving, J.S.; O’Regan, K.B.; Heenan, T.M.M.; Hinds, G.; Kendrick, E.; Brett, D.J.L.; Shearing, P.R.; Nature Communications (April 2020) https://doi.org/10.1038/s41467-020-15811-x
  45. Development of Experimental Techniques for Parameterization of Multi-scale Lithium-ion Battery Models; Chen, C.-H.; Brosa Planella, F.; O’Regan, K.; Gastol, D.; Widanage, W.D.; Kendrick, E.; Journal of the Electrochemical Society (May 2020) https://doi.org/10.1149/1945-7111/ab9050
  46. Physical Origin of the Differential Voltage Minimum Associated with Lithium Plating in Li-Ion Batteries; O’Kane, S.E.J.; Campbell, I.D.; Marzook, M.W.J.; Offer, G.J.; Marinescu, M.; Journal of the Electrochemical Society (May 2020) https://doi.org/10.1149/1945-7111/ab90ac
  47. The ONETEP linear-scaling density functional theory program; Prentice, J.C.A.; Aarons, J.; Womack, J.C.; Allen, A.E.A.; Andrinopoulos, L.; Anton, L.; Bell, R.A.; Bhandari, A.; Bramley, G.A.; Charlton, R.J.; Clements, R.J.; Cole, D.J.; Constantinescu, G.; Corsetti, F.; Dubois, S.M.-M.; Duff, K.K.B.; Escartín, J.M.; Greco, A.; Hill, Q.; Lee, L.P.; Linscott, E.; O’Regan, D.D.; Phipps, M.J.S.; Ratcliff, L.E.; Serrano, Á.R.; Tait, E.W.; Teobaldi, G.; Vitale, V.; Yeung, N.; Zuehlsdorff, T.J.; Dziedzic, J.; Haynes, P.D.; Hine, N.D.M.; Mostofi, A.A.; Payne, M.C.; Skylaris, C.-K.; Journal of Chemical Physics (May 2020) https://doi.org/10.1063/5.0004445
  48. Chemical Trends in the Lattice Thermal Conductivity of Li(Ni,Mn,Co)O2 (NMC) Battery Cathodes; Yang, H.; Savory, C.N.; Morgan, B.J.; Scanlon, D.O.; Skelton, J.M.; Walsh, A.; ChemRxiv (May 2020) https://doi.org/10.26434/chemrxiv.12320033.v1
  49. Pores for thought: generative adversarial networks for stochastic reconstruction of 3D multi-phase electrode microstructures with periodic boundaries; Gayon-Lombardo, A.; Mosser, L.; Brandon, N.P.; Cooper, S.J.; npj Computational Materials (June 2020) https://doi.org/10.1038/s41524-020-0340-7
  50. Discerning models of phase transformations in porous graphite electrodes: Insights from inverse modelling based on MRI measurements; Morales Escalante, J.; Ko, W.; Foster, J.M.; Krachkovskiy, S.; Goward, G.; Protas, B.; Electrochimica Acta (July 2020) https://doi.org/10.1016/j.electacta.2020.136290
  51. Probing Heterogeneity in Li-Ion Batteries with Coupled Multiscale Models of Electrochemistry and Thermal Transport using Tomographic Domains; Tranter, T.G.; Timms, R.; Heenan, T.M.M.; Marquis, S.G.; Sulzer, V.; Jnawali, A.; Kok, M.D.R.; Please, C.P.; Chapman, S.J.; Shearing, P.R.; Brett, D.J.L.; Journal of the Electrochemical Society (July 2020) https://doi.org/10.1149/1945-7111/aba44b
  52. Spatial dynamics of lithiation and lithium plating during high-rate operation of graphite electrodes; Finegan, D.P.; Quinn, A.; Wragg, D.S.; Colclasure, A.M.; Lu, X.; Tan, C.; Heenan, T.M.M.; Jervis, R.; Brett, D.J.L.; Das, S.; Gao, T.; Cogswell, D.A.; Bazant, M.Z.; Di Michiel, M.; Checchia, S.; Shearing, P.R.; Smith, K.; Energy and Environmental Science (Aug 2020) https://doi.org/10.1039/d0ee01191f
  53. Investigation of Path-Dependent Degradation in Lithium-Ion Batteries**; Raj, T.; Wang, A.A.; Monroe, C.W.; Howey, D.A.; Batteries and Supercaps (Aug 2020) https://doi.org/10.1002/batt.202000160
  54. 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; Nguyen, T.-T.; Demortière, A.; Fleutot, B.; Delobel, B.; Delacourt, C.; Cooper, S.J.; npj Computational Materials (Aug 2020) https://doi.org/10.1038/s41524-020-00386-4
  55. In-situ fabrication of carbon-metal fabrics as freestanding electrodes for high-performance flexible energy storage devices; Liu, X.; Ouyang, M.; Orzech, M.W.; Niu, Y.; Tang, W.; Chen, J.; Marlow, M.N.; Puhan, D.; Zhao, Y.; Tan, R.; Colin, B.; Haworth, N.; Zhao, S.; Wang, H.; Childs, P.; Margadonna, S.; Wagemaker, M.; Pan, F.; Brandon, N.; George, C.; Wu, B.; Energy Storage Materials (Sept 2020) https://doi.org/10.1016/j.ensm.2020.04.001
  56. Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces; Bhandari, A.; Anton, L.; Dziedzic, J.; Peng, C.; Kramer, D.; Skylaris, C.-K.; Journal of Chemical Physics (Sept 2020) https://doi.org/10.1063/5.0021210
  57. Voltage hysteresis model for silicon electrodes for lithium ion batteries, including multi-step phase transformations, crystallization and amorphization; Jiang, Y.; Offer, G.; Jiang, J.; Marinescu, M.; Wang, H.; Journal of the Electrochemical Society (Oct 2020) https://doi.org/10.1149/1945-7111/abbbba
  58. Shifting-reference concentration cells to refine composition-dependent transport characterization of binary lithium-ion electrolytes; Wang, A.A.; Hou, T.; Karanjavala, M.; Monroe, C.W.; Electrochimica Acta (Oct 2020) https://doi.org/10.1016/j.electacta.2020.136688
  59. A suite of reduced-order models of a single-layer lithium-ion pouch cell; Marquis, S.G.; Timms, R.; Sulzer, V.; Please, C.P.; Chapman, S.J.; Journal of the Electrochemical Society (Oct 2020) https://doi.org/10.1149/1945-7111/abbce4
  60. Numerical simulations of cyclic voltammetry for lithium-ion intercalation in nanosized systems: finiteness of diffusion versus electrode kinetics; Gavilán-Arriazu, E.M.; Mercer, M.P.; Pinto, O.A.; Oviedo, O.A.; Barraco, D.E.; Hoster, H.E.; Leiva, E.P.M.; Journal of Solid State Electrochemistry (Nov 2020) https://doi.org/10.1007/s10008-020-04717-9
  61. The Cell Cooling Coefficient as a design tool to optimise thermal management of lithium-ion cells in battery packs; Hales, A.; Prosser, R.; Bravo Diaz, L.; White, G.; Patel, Y.; Offer, G.; eTransportation (Nov 2020) https://doi.org/10.1016/j.etran.2020.100089
  62. Microstructural Evolution of Battery Electrodes During Calendering; Lu, X.; Daemi, S.R.; Bertei, A.; Kok, M.D.R.; O’Regan, K.B.; Rasha, L.; Park, J.; Hinds, G.; Kendrick, E.; Brett, D.J.L.; Shearing, P.R.; Joule (Nov 2020) https://doi.org/10.1016/j.joule.2020.10.010
  63. Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings; Mercer, M.P.; Peng, C.; Soares, C.; Hoster, H.E.; Kramer, D.; Journal of Materials Chemistry A (Nov 2020) https://doi.org/10.1039/d0ta10403e
  64. Identifying the Origins of Microstructural Defects Such as Cracking within Ni-Rich NMC811 Cathode Particles for Lithium-Ion Batteries; Heenan, T.M.M.; Wade, A.; Tan, C.; Parker, J.E.; Matras, D.; Leach, A.S.; Robinson, J.B.; Llewellyn, A.; Dimitrijevic, A.; Jervis, R.; Quinn, P.D.; Brett, D.J.L.; Shearing, P.R.; Advanced Energy Materials (Dec 2020) https://doi.org/10.1002/aenm.202002655
  65. Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1-xSnxP2S12; Culver, S.P.; Squires, A.G.; Minafra, N.; Armstrong, C.W.F.; Krauskopf, T.; Böcher, F.; Li, C.; Morgan, B.J.; Zeier, W.G.; Journal of the American Chemical Society (Dec 2020) https://doi.org/10.1021/jacs.0c10735
  66. Communication-prediction of thermal issues for larger format 4680 cylindrical cells and their mitigation with enhanced current collection; Tranter, T.G.; Timms, R.; Shearing, P.R.; Brett, D.J.L.; Journal of the Electrochemical Society (Dec 2020) https://doi.org/10.1149/1945-7111/abd44f
  67. Understanding rapid charge and discharge in nano-structured lithium iron phosphate cathodes; Castle, M.; Richardson, G.; Foster, J.M.; European Journal of Applied Mathematics (Jan 2021) https://doi.org/10.1017/S0956792521000036
  68. Designer uniform Li plating/stripping through lithium–cobalt alloying hierarchical scaffolds for scalable high-performance lithium-metal anodes; Liu, X.; Qian, X.; Tang, W.; Luo, H.; Zhao, Y.; Tan, R.; Qiao, M.; Gao, X.; Hua, Y.; Wang, H.; Zhao, S.; Lai, C.; Titirici, M.; Brandon, N.P.; Yang, S.; Wu, B.; Journal of Energy Chemistry (Jan 2021) https://doi.org/10.1016/j.jechem.2020.03.059
  69. Online capacity estimation of lithium-ion batteries with deep long short-term memory networks; Li, W.; Sengupta, N.; Dechent, P.; Howey, D.; Annaswamy, A.; Sauer, D.U.; Journal of Power Sources (Jan 2021) https://doi.org/10.1016/j.jpowsour.2020.228863
  70. The prismatic surface cell cooling coefficient: A novel cell design optimisation tool & thermal parameterization method for a 3D discretised electro-thermal equivalent-circuit model; Hua, X.; Heckel, C.; Modrow, N.; Zhang, C.; Hales, A.; Holloway, J.; Jnawali, A.; Li, S.; Yu, Y.; Loveridge, M.; Shearing, P.; Patel, Y.; Marinescu, M.; Tao, L.; Offer, G.; eTransportation (Feb 2021) https://doi.org/10.1016/j.etran.2020.100099
  71. A Shrinking-Core Model for the Degradation of High-Nickel Cathodes (NMC811) in Li-Ion Batteries: Passivation Layer Growth and Oxygen Evolution; Ghosh, A.; Foster, J.M.; Offer, G.; Marinescu, M.; Journal of the Electrochemical Society (Feb 2021) https://doi.org/10.1149/1945-7111/abdc71
  72. Finding a better fit for lithium ion batteries: A simple, novel, load dependent, modified equivalent circuit model and parameterization method; Hua, X.; Zhang, C.; Offer, G.; Journal of Power Sources (Feb 2021) https://doi.org/10.1016/j.jpowsour.2020.229117
  73. Generating 3D structures from a 2D slice with GAN-based dimensionality expansion; Kench, S.; Cooper, S.J.; arXiv (Feb 2021) https://doi.org/10.48550/arXiv.2102.07708
  74. Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites; Morgan, B.J.; Chemistry of Materials (March 2021) https://doi.org/10.1021/acs.chemmater.0c03738
  75. Lithium-Ion Diagnostics: The First Quantitative In-Operando Technique for Diagnosing Lithium Ion Battery Degradation Modes under Load with Realistic Thermal Boundary Conditions; Prosser, R.; Offer, G.; Patel, Y.; Journal of the Electrochemical Society (March 2021) https://doi.org/10.1149/1945-7111/abed28
  76. Unlocking extra value from grid batteries using advanced models; Reniers, J.M.; Mulder, G.; Howey, D.A.; Journal of Power Sources (March 2021) https://doi.org/10.1016/j.jpowsour.2020.229355
  77. How Machine Learning Will Revolutionize Electrochemical Sciences; Mistry, A.; Franco, A.A.; Cooper, S.J.; Roberts, S.A.; Viswanathan, V.; ACS Energy Letters (March 2021) https://doi.org/10.1021/acsenergylett.1c00194
  78. Lithium ion battery degradation: what you need to know; Edge, J.S.; O’Kane, S.; Prosser, R.; Kirkaldy, N.D.; Patel, A.N.; Hales, A.; Ghosh, A.; Ai, W.; Chen, J.; Yang, J.; Li, S.; Pang, M.-C.; Bravo Diaz, L.; Tomaszewska, A.; Marzook, M.W.; Radhakrishnan, K.N.; Wang, H.; Patel, Y.; Wu, B.; Offer, G.J.; Physical Chemistry Chemical Physics (March 2021) https://doi.org/10.1039/d1cp00359c
  79. High-Energy Nickel-Cobalt-Aluminium Oxide (NCA) Cells on Idle: Anode- versus Cathode-Driven Side Reactions; Zülke, A.; Li, Y.; Keil, P.; Burrell, R.; Belaisch, S.; Nagarathinam, M.; Mercer, M.P.; Hoster, H.E.; Batteries and Supercaps (March 2021) https://doi.org/10.1002/batt.202100046
  80. Current Imbalance in Parallel Battery Strings Measured Using a Hall-Effect Sensor Array; Luca, R.; Whiteley, M.; Neville, T.; Tranter, T.; Weaving, J.; Marco, J.; Shearing, P.R.; Brett, D.J.L.; Energy Technology (April 2021) https://doi.org/10.1002/ente.202001014
  81. Frequency domain non-linear characterization and analysis of lithium-ion battery electrodes; Fan, C.; O’Regan, K.; Li, L.; Kendrick, E.; Widanage, W.D.; Journal of Energy Storage (April 2021) https://doi.org/10.1016/j.est.2021.102371
  82. Optimal cell tab design and cooling strategy for cylindrical lithium-ion batteries; Li, S.; Kirkaldy, N.; Zhang, C.; Gopalakrishnan, K.; Amietszajew, T.; Diaz, L.B.; Barreras, J.V.; Shams, M.; Hua, X.; Patel, Y.; Offer, G.J.; Marinescu, M.; Journal of Power Sources (April 2021) https://doi.org/10.1016/j.jpowsour.2021.229594
  83. Towards the digitalisation of porous energy materials: Evolution of digital approaches for microstructural design; Niu, Z.; Pinfield, V.J.; Wu, B.; Wang, H.; Jiao, K.; Leung, D.Y.C.; Xuan, J.; Energy and Environmental Science (April 2021) https://doi.org/10.1039/d1ee00398d
  84. Guiding the Design of Heterogeneous Electrode Microstructures for Li-Ion Batteries: Microscopic Imaging, Predictive Modeling, and Machine Learning; Xu, H.; Zhu, J.; Finegan, D.P.; Zhao, H.; Lu, X.; Li, W.; Hoffman, N.; Bertei, A.; Shearing, P.; Bazant, M.Z.; Advanced Energy Materials (May 2021) https://doi.org/10.1002/aenm.202003908
  85. Asymptotic reduction of a lithium-ion pouch cell model; Timms, R.; Marquis, S.G.; Sulzer, V.; Please, C.P.; Chapman, S.J.; SIAM Journal on Applied Mathematics (May 2021) https://doi.org/10.1137/20M1336898
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  87. Detection and Isolation of Small Faults in Lithium-Ion Batteries via the Asymptotic Local Approach; Couto, L.D.; Reniers, J.M.; Howey, D.A.; Kinnaert, M.; Proceedings of the American Control Conference (May 2021) https://doi.org/10.23919/ACC50511.2021.9482918
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  89. Battery Degradation-Aware Current Derating: An Effective Method to Prolong Lifetime and Ease Thermal Management; Schimpe, M.; Barreras, J.V.; Wu, B.; Offer, G.J.; Journal of the Electrochemical Society (June 2021) https://doi.org/10.1149/1945-7111/ac0553
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  91. Physical Modelling of the Slow Voltage Relaxation Phenomenon in Lithium-Ion Batteries; Kirk, T.L.; Please, C.P.; Jon Chapman, S.; Journal of the Electrochemical Society (June 2021) https://doi.org/10.1149/1945-7111/ac0bf7
  92. Financial viability of electric vehicle lithium-ion battery recycling; Lander, L.; Cleaver, T.; Rajaeifar, M.A.; Nguyen-Tien, V.; Elliott, R.J.R.; Heidrich, O.; Kendrick, E.; Edge, J.S.; Offer, G.; iScience (June 2021) https://doi.org/10.1016/j.isci.2021.102787
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  96. Mechanism of Li nucleation at graphite anodes and mitigation strategies; Peng, C.; Bhandari, A.; Dziedzic, J.; Owen, J.R.; Skylaris, C.-K.; Kramer, D.; Journal of Materials Chemistry A (July 2021) https://doi.org/10.1039/d1ta03447b
  97. Recovering large-scale battery aging dataset with machine learning; Tang, X.; Liu, K.; Li, K.; Widanage, W.D.; Kendrick, E.; Gao, F.; Patterns (Aug 2021) https://doi.org/10.1016/j.patter.2021.100302
  98. Highly Aligned Ultra-Thick Gel-Based Cathodes Unlocking Ultra-High Energy Density Batteries; Yang, S.; Zhou, C.; Wang, Q.; Chen, B.; Zhao, Y.; Guo, B.; Zhang, Z.; Gao, X.; Chowdhury, R.; Wang, H.; Lai, C.; Brandon, N.P.; Wu, B.; Liu, X.; Energy and Environmental Materials (Aug 2021) https://doi.org/10.1002/eem2.12252
  99. Systematic derivation and validation of a reduced thermal-electrochemical model for lithium-ion batteries using asymptotic methods; Brosa Planella, F.; Sheikh, M.; Widanage, W.D.; Electrochimica Acta (Aug 2021) https://doi.org/10.1016/j.electacta.2021.138524
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  101. Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries; Vamvakeros, A.; Matras, D.; Ashton, T.E.; Coelho, A.A.; Dong, H.; Bauer, D.; Odarchenko, Y.; Price, S.W.T.; Butler, K.T.; Gutowski, O.; Dippel, A.-C.; Zimmerman, M.V.; Darr, J.A.; Jacques, S.D.M.; Beale, A.M.; Small Methods (Sept 2021) https://doi.org/10.1002/smtd.202100512
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  115. Predicting battery end of life from solar off-grid system field data using machine learning; Aitio, A.; Howey, D.A.; Joule (Dec 2021) https://doi.org/10.1016/j.joule.2021.11.006
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  121. Consolidated theory of fluid thermodiffusion; Van-Brunt, A.; Farrell, P.E.; Monroe, C.W.; AIChE Journal (Jan 2022) https://doi.org/10.1002/aic.17599
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  124. Insights into the Role of Silicon and Graphite in the Electrochemical Performance of Silicon/Graphite Blended Electrodes with a Multi-Material Porous Electrode Model; Jiang, Y.; Niu, Z.; Offer, G.; Xuan, J.; Wang, H.; Journal of the Electrochemical Society (Feb 2022) https://doi.org/10.1149/1945-7111/ac5481
  125. In-Situ Li-Ion Pouch Cell Diagnostics Utilising Plasmonic Based Optical Fibre Sensors; Gardner, C.; Langhammer, E.; Du, W.; Brett, D.J.L.; Shearing, P.R.; Roberts, A.J.; Amietszajew, T.; Sensors (Feb 2022) https://doi.org/10.3390/s22030738
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  171. Tracking the Lifecycle of a 21700 Cell: A 4D Tomography and Digital Disassembly Study; Kok, M.D.R.; Jnawali, A.; Heenan, T.M.M.; Tranter, T.G.; Brett, D.J.; Shearing, P.R.; Robinson, J.B.; Journal of the Electrochemical Society (Jan 2023) https://doi.org/10.1149/1945-7111/acf412
  172. X-Ray Computed Tomography for Failure Mechanism Characterisation within Layered Pouch Cells: Part I; Patel, D.; Reid, H.; Ball, S.; Brett, D.J.L.; Shearing, P.R.; Johnson Matthey Technology Review (Jan 2023) https://doi.org/10.1595/205651322X16595441894422
  173. Nonlinear Electrochemical Impedance Spectroscopy for Lithium-Ion Battery Model Parameterization; Kirk, T.L.; Lewis-Douglas, A.; Howey, D.; Please, C.P.; Jon Chapman, S.; Journal of the Electrochemical Society (Jan 2023) https://doi.org/10.1149/1945-7111/acada7
  174. Multi-Week Cycling of a Nonaqueous Flow Battery Using Tris-Bipyridine Iron (II) Triflate without Additional Supporting Electrolyte; Smith, K.P.; Rungta, R.; Wang, A.A.; Monroe, C.W.; Journal of the Electrochemical Society (Jan 2023) https://doi.org/10.1149/1945-7111/acd873
  175. Hyperparameter-optimized CNN and CNN-LSTM for Predicting the Remaining Useful Life of Lithium-Ion Batteries; Rastegarpanah, A.; Contreras, C.A.; Stolkin, R.; Proceedings – 11th IEEE International Conference on Intelligent Computing and Information Systems, ICICIS 2023 (Jan 2023) https://doi.org/10.1109/ICICIS58388.2023.10391176
  176. Harnessing CNN-DNC and CNN-LSTM-DNC Architectures for Enhanced Lithium-Ion Remaining Useful Life Prediction; Rastegarpanah, A.; Contreras, C.A.; Stolkin, R.; Proceedings – 11th IEEE International Conference on Intelligent Computing and Information Systems, ICICIS 2023 (Jan 2023) https://doi.org/10.1109/ICICIS58388.2023.10391131
  177. X-Ray Computed Tomography for Failure Mechanism Characterisation within Layered Pouch Cells: Part II; Patel, D.; Reid, H.; Ball, S.; Brett, D.J.L.; Shearing, P.R.; Johnson Matthey Technology Review (Jan 2023) https://doi.org/10.1595/205651323X16686891950941
  178. Breaking it down: A techno-economic assessment of the impact of battery pack design on disassembly costs; Lander, L.; Tagnon, C.; Nguyen-Tien, V.; Kendrick, E.; Elliott, R.J.R.; Abbott, A.P.; Edge, J.S.; Offer, G.J.; Applied Energy (Feb 2023) https://doi.org/10.1016/j.apenergy.2022.120437
  179. Structural electroneutrality in Onsager–Stefan–Maxwell transport with charged species; Van-Brunt, A.; Farrell, P.E.; Monroe, C.W.; Electrochimica Acta (Feb 2023) https://doi.org/10.1016/j.electacta.2022.141769
  180. Artefact removal from micrographs with deep learning based inpainting†; Squires, I.; Dahari, A.; Cooper, S.J.; Kench, S.; Digital Discovery (Feb 2023) https://doi.org/10.1039/d2dd00120a
  181. Quantitative assessment of machine-learning segmentation of battery electrode materials for active material quantification; Bailey, J.J.; Wade, A.; Boyce, A.M.; Zhang, Y.S.; Brett, D.J.L.; Shearing, P.R.; Journal of Power Sources (Feb 2023) https://doi.org/10.1016/j.jpowsour.2022.232503
  182. Sodiation energetics in pore size controlled hard carbons determined via entropy profiling; Mercer, M.P.; Nagarathinam, M.; Gavilán-Arriazu, E.M.; Binjrajka, A.; Panda, S.; Au, H.; Crespo-Ribadeneyra, M.; Titirici, M.-M.; Leiva, E.P.M.; Hoster, H.E.; Journal of Materials Chemistry A (Feb 2023) https://doi.org/10.1039/d2ta09406a
  183. Roadmap for a sustainable circular economy in lithium-ion and future battery technologies; Harper, G.D.J.; Kendrick, E.; Anderson, P.A.; Mrozik, W.; Christensen, P.; Lambert, S.; Greenwood, D.; Das, P.K.; Ahmeid, M.; Milojevic, Z.; Du, W.; Brett, D.J.L.; Shearing, P.R.; Rastegarpanah, A.; Stolkin, R.; Sommerville, R.; Zorin, A.; Durham, J.L.; Abbott, A.P.; Thompson, D.; Browning, N.D.; Mehdi, B.L.; Bahri, M.; Schanider-Tontini, F.; Nicholls, D.; Stallmeister, C.; Friedrich, B.; Sommerfeld, M.; Driscoll, L.L.; Jarvis, A.; Giles, E.C.; Slater, P.R.; Echavarri-Bravo, V.; Maddalena, G.; Horsfall, L.E.; Gaines, L.; Dai, Q.; Jethwa, S.J.; Lipson, A.L.; Leeke, G.A.; Cowell, T.; Farthing, J.G.; Mariani, G.; Smith, A.; Iqbal, Z.; Golmohammadzadeh, R.; Sweeney, L.; Goodship, V.; Li, Z.; Edge, J.; Lander, L.; Nguyen, V.T.; Elliot, R.J.R.; Heidrich, O.; Slattery, M.; Reed, D.; Ahuja, J.; Cavoski, A.; Lee, R.; Driscoll, E.; Baker, J.; Littlewood, P.; Styles, I.; Mahanty, S.; Boons, F.; JPhys Energy (Feb 2023) https://doi.org/10.1088/2515-7655/acaa57
  184. Degradation model of high-nickel positive electrodes: Effects of loss of active material and cyclable lithium on capacity fade; Zhuo, M.; Offer, G.; Marinescu, M.; Journal of Power Sources (Feb 2023) https://doi.org/10.1016/j.jpowsour.2022.232461
  185. A continuum model for lithium plating and dendrite formation in lithium-ion batteries: Formulation and validation against experiment; Sahu, S.; Foster, J.M.; Journal of Energy Storage (April 2023) https://doi.org/10.1016/j.est.2022.106516
  186. Lithium-ion battery lifetime extension: A review of derating methods; Ruan, H.; Barreras, J.V.; Engstrom, T.; Merla, Y.; Millar, R.; Wu, B.; Journal of Power Sources (April 2023) https://doi.org/10.1016/j.jpowsour.2023.232805
  187. 2023 roadmap for potassium-ion batteries; Xu, Y.; Titirici, M.; Chen, J.; Cora, F.; Cullen, P.L.; Edge, J.S.; Fan, K.; Fan, L.; Feng, J.; Hosaka, T.; Hu, J.; Huang, W.; Hyde, T.I.; Imtiaz, S.; Kang, F.; Kennedy, T.; Kim, E.J.; Komaba, S.; Lander, L.; Le Pham, P.N.; Liu, P.; Lu, B.; Meng, F.; Mitlin, D.; Monconduit, L.; Palgrave, R.G.; Qin, L.; Ryan, K.M.; Sankar, G.; Scanlon, D.O.; Shi, T.; Stievano, L.; Tinker, H.R.; Wang, C.; Wang, H.; Wang, H.; Wu, Y.; Zhai, D.; Zhang, Q.; Zhou, M.; Zou, J.; JPhys Energy (April 2023) https://doi.org/10.1088/2515-7655/acbf76
  188. Compressibility of Lithium Hexafluorophosphate Solutions in Two Carbonate Solvents; Wang, A.A.; Persa, D.; Helin, S.; Smith, K.P.; Raymond, J.L.; Monroe, C.W.; Journal of Chemical and Engineering Data (April 2023) https://doi.org/10.1021/acs.jced.2c00711
  189. Enabling battery digital twins at the industrial scale; Dubarry, M.; Howey, D.; Wu, B.; Joule (May 2023) https://doi.org/10.1016/j.joule.2023.05.005
  190. First Cycle Cracking Behaviour Within Ni-Rich Cathodes During High-Voltage Charging; Wade, A.; Llewellyn, A.V.; Heenan, T.M.M.; Tan, C.; Brett, D.J.L.; Jervis, R.; Shearing, P.R.; Journal of the Electrochemical Society (June 2023) https://doi.org/10.1149/1945-7111/ace130
  191. Diffusion-aware voltage source: An equivalent circuit network to resolve lithium concentration gradients in active particles; Zhuo, M.; Kirkaldy, N.; Maull, T.; Engstrom, T.; Offer, G.; Marinescu, M.; Applied Energy (June 2023) https://doi.org/10.1016/j.apenergy.2023.121004
  192. A Plating-Free Charging Scheme for Battery Module Based on Anode Potential Estimation to Prevent Lithium Plating; Ren, Y.; Widanage, D.; Marco, J.; Batteries (June 2023) https://doi.org/10.3390/batteries9060294
  193. Overpotential from Cosolvent Imbalance in Battery Electrolytes: LiPF6 in EMC:EC; Jung, T.; Wang, A.A.; Monroe, C.W.; ACS Omega (June 2023) https://doi.org/10.1021/acsomega.3c02088
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  195. Bayesian Model Selection of Lithium-Ion Battery Models via Bayesian Quadrature; Adachi, M.; Kuhn, Y.; Horstmann, B.; Latz, A.; Osborne, M.A.; Howey, D.A.; IFAC-PapersOnLine (July 2023) https://doi.org/10.1016/j.ifacol.2023.10.1073
  196. Learning Optimal Forms of Constitutive Relations Characterizing Ion Intercalation from Data in Mathematical Models of Lithium-Ion Batteries; Daniels, L.; Sahu, S.; Sanders, K.J.; Goward, G.R.; Foster, J.M.; Protas, B.; Journal of Physical Chemistry C (Aug 2023) https://doi.org/10.1021/acs.jpcc.3c02915
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  198. Coupled electrochemical-thermal-mechanical stress modelling in composite silicon/graphite lithium-ion battery electrodes; Bonkile, M.P.; Jiang, Y.; Kirkaldy, N.; Sulzer, V.; Timms, R.; Wang, H.; Offer, G.; Wu, B.; Journal of Energy Storage (Sept 2023) https://doi.org/10.1016/j.est.2023.108609
  199. Laplace Transform Methods for Transient Diffusion; or, Some Good Questions from Ralph White; Monroe, C.W.; Journal of the Electrochemical Society (Sept 2023) https://doi.org/10.1149/1945-7111/acf6e2
  200. Direct observations of electrochemically induced intergranular cracking in polycrystalline NMC811 particles; Parks, H.C.W.; Boyce, A.M.; Wade, A.; Heenan, T.M.M.; Tan, C.; Martínez-Pañeda, E.; Shearing, P.R.; Brett, D.J.L.; Jervis, R.; Journal of Materials Chemistry A (Sept 2023) https://doi.org/10.1039/d3ta03057a
  201. Evaluating Long-Term Cycling Degradation in Cylindrical Li-Ion Batteries Using X-ray Tomography and Virtual Unrolling; Jnawali, A.; Kok, M.D.R.; Krishna, M.; Varnosfaderani, M.A.; Brett, D.J.L.; Shearing, P.R.; Journal of the Electrochemical Society (Sept 2023) https://doi.org/10.1149/1945-7111/acf883
  202. Effect of thermal gradients on inhomogeneous degradation in lithium-ion batteries; Li, S.; Zhang, C.; Zhao, Y.; Offer, G.J.; Marinescu, M.; Communications Engineering (Oct 2023) https://doi.org/10.1038/s44172-023-00124-w
  203. Electrochemical impedance spectroscopy beyond linearity and stationarity—A critical review; Hallemans, N.; Howey, D.; Battistel, A.; Saniee, N.F.; Scarpioni, F.; Wouters, B.; La Mantia, F.; Hubin, A.; Widanage, W.D.; Lataire, J.; Electrochimica Acta (Oct 2023) https://doi.org/10.1016/j.electacta.2023.142939
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  205. A Workflow for Identifying Viable Crystal Structures with Partially Occupied Sites Applied to the Solid Electrolyte Cubic Li7La3Zr2O12; Holland, J.; Demeyere, T.; Bhandari, A.; Hanke, F.; Milman, V.; Skylaris, C.-K.; Journal of Physical Chemistry Letters (Nov 2023) https://doi.org/10.1021/acs.jpclett.3c02064
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  210. Direct venting during fast charging of lithium-ion batteries; Li, Y.; Gao, X.; Wang, H.; Offer, G.J.; Yang, S.; Zhao, Z.; Ouyang, M.; Journal of Power Sources (Feb 2024) https://doi.org/10.1016/j.jpowsour.2023.233926
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  213. Operando Ultrasonic Monitoring of the Internal Temperature of Lithium-ion Batteries for the Detection and Prevention of Thermal Runaway; Owen, R.E.; Wiśniewska, E.; Braglia, M.; Stocker, R.; Shearing, P.R.; Brett, D.J.L.; Robinson, J.B.; Journal of the Electrochemical Society (April 2024) https://doi.org/10.1149/1945-7111/ad3beb
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  231. Modeling Particle Versus SEI Cracking in Lithium-Ion Battery Degradation: Why Calendar and Cycle Aging Cannot Simply be Added; Karger, A.; O’Kane, S.E.J.; Rogge, M.; Kirst, C.; Singer, J.P.; Marinescu, M.; Offer, G.J.; Jossen, A.; Journal of the Electrochemical Society (Sept 2024) https://doi.org/10.1149/1945-7111/ad76da
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  244. Learning Battery Model Parameter Dynamics From Data With Recursive Gaussian Process Regression; Aitio, A.; Jöst, D.; Sauer, D.U.; Howey, D.A.; Journal of Dynamic Systems, Measurement, and Control (Feb 2025) https://doi.org/10.1115/1.4067771
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