Research Highlights

Multi-Scale Modelling

Modelling the effects of thermal gradients induced by tab and surface cooling on lithium ion cell performance, Yan Zhao, Yatish Patel, Teng Zhang and Gregory J. Offer, Journal of The Electrochemical Society, 165 (13), pp. A3169-A3178, (2018), DOI 10.1149/2.0901813jes

Non-equilibrium crystallization pathways of manganese oxides in aqueous solution, Wenhao Sun, Daniil A. Kitchaev, Denis Kramer & Gerbrand Ceder, Nature Comms., 10, 573 (2019)

Solid electrolyte interphase: Can faster formation at lower potentials yield better performance?, Antonopoulos, B.K., Electrochimica Acta, 269 pp. 331-339, (2018), DOI 10.1016/j.electacta.2018.03.007

Catalysing surface film formation, Hoster, H.E., Nature Catalysis, 1 (4), pp. 236-237, (2018), DOI 10.1038/s41929-018-0060-2

Formation of the Solid Electrolyte Interphase at Constant Potentials: a Model Study on Highly Oriented Pyrolytic Graphite, Antonopoulos, B.K., Batteries & Supercaps, 1 (3), pp. 110-121 (2018), DOI 10.1002/batt.201800029

Quantifying structure dependent responses in Li-ion cells with excess Li spinel cathodes: matching voltage and entropy profiles through mean field models, Schlueter, S, Physical Chemistry Chemical Physics, 20 (33), pp. 21417-29, (2018), DOI 10.1039/C8CP02989J

Fluid-enhanced surface diffusion controls intraparticle phase transformations, Li Y, et al., Nature Materials, 17, pp. 915–922, (2018), DOI 10.1038/s41563-018-0168-4

Oxidation states and iconicity, Walsh, A. et al., Nature Materials, 17, pp. 958–964, (2018), DOI 10.1038/s41563-018-0165-7

Correlated Polyhedral Rotations in the Absence of Polarons During Electrochemical Insertion of Lithium in ReO3, N. H. Bashian, S. Zhou, A. M. Ganose, J. W. Stiles, A. Ee, D. S. Ashby, M. Zuba, D. O. Scanlon, L. F. J. Piper, B. Dunn, and B. C. Melot, ACS Energy Letters, 3 (10), pp 2513–2519, (2018), DOI 10.1021/acsenergylett.8b01179

Elucidating lithium-ion and proton dynamics in anti-perovskite solid electrolytes, Dawson, J.A., Energy & Environmental Science, 11 (10), pp. 2993-3002, (2018), DOI 10.1039/c8ee00779a

The effect of cell-to-cell variations and thermal gradients on the performance and degradation of Li-ion battery packs, Xinhua Liu, Weilong Ai, Max Naylor Marlow, Yatish Patel, Billy Wu, Applied Energy, Volume 248, pp 489-499.

Incorporating Dendrite Growth into Continuum Models of Electrolytes: Insights from NMR Measurements and Inverse Modelling, Athinthra K. Sethurajan, Jamie M. Foster, Giles Richardson, Sergey A. Krachkovskiy, J. David Bazak, Gillian R. Goward and Bartosz Protas, J. Electrochem. Soc. 2019 166(8): A1591-A1602.

The Cell Cooling Coefficient: A Standard to Define Heat Rejection from Lithium-Ion Batteries, Alastair Hales, Laura Bravo Diaz, Mohamed Waseem Marzook, Yan Zhao, Yatish Patel, and Gregory Offer  J. Electrochem. Soc. volume 166, issue 12, (2019) A2383-A2395 doi: 10.1149/2.0191912jes

Temperature Considerations for Charging Li-Ion Batteries: Inductive Versus Mains Charging Modes for Portable Electronic Devices, Melanie. J. Loveridge, Chaou C. Tan, Faduma M. Maddar, Guillaume Remy, Mike Abbott, Shaun Dixon, Richard McMahon, Ollie Curnick, Mark Ellis, Mike Lain, Anup Barai, Mark Amor-Segan, Rohit Bhagat, and Dave Greenwood, ACS Energy Letters 2019 4 (5), 1086-1091, DOI: 10.1021/acsenergylett.9b00663

Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes, Mario Burbano, Mathieu Duttine, Benjamin J. Morgan, Olaf J. Borkiewicz, Karena W. Chapman, Alain Wattiaux, Alain Demourgues, Henri Groult, Mathieu Salanne, Damien Dambournet; J. Phys. Chem. Lett. 2019, 10,1, 107-112, December 19, 2018 https://doi.org/10.1021/acs.jpclett.8b03503

Quick-start guide for first-principles modelling of semiconductor interfaces, Ji-Sang Park, Young-Kwang Jung, Keith T Butler and Aron Walsh, 20 November 2018, Journal of Physics: Energy, Volume 1, Number 1

pyscses: a PYthon Space-Charge Site-Explicit Solver, Wellock et al., 2019, Journal of Open Source Software, 4(35), 1209, https://doi.org/10.21105/joss.01209

Can Electric Vehicles significantly reduce our dependence on non-renewable energy? Scenarios of compact vehicles in the UK as a case in point, Raugei, M., Hutchinson A., Morrey D., 2018. Journal of Cleaner Production, 6.4, 1 https://doi.org/10.1016/j.jclepro.2018.08.107

SOLBAT

Lithium Transport in Li4.4M0.4M'0.6S4 (M = Al3+, Ga3+, and M' = Ge4+, Sn4+): Combined Crystallographic, Conductivity, Solid State NMR, and Computational Studies, B, T. Leube, K, K. Inglis, E. Carrington, P. M. Sharp, J. F. Shin, A. R. Neale, T. D. Manning, M. J. Pitcher, L. J. Hardwick, M. S. Dyer, F. Blanc, J. B. Claridge, and M. J. Rosseinsky, Chem. Matter., (2018), DOI 0.1021/acs.chemmater.8b03175

Low-Dose Aberration-Free Imaging of Li-Rich Cathode Materials at Various States of Charge Using Electron Ptychography, Juan G. Lozano, Gerardo T. Martinez, Liyu Jin , Peter D. Nellist, and Peter G. Bruce, Nano Lett., 2018, 18 (11), pp 6850–6855, DOI: 10.1021/acs.nanolett.8b02718DOI - 10.1021/acs.nanolett.8b02718

Selective and Facile Synthesis of Sodium Sulfide and Sodium Disulfide Polymorphs, Hany El-Shinaw, Edmund J. Cussen, and Serena A. Corr, Inorg. Chem., 2018, 57 (13), pp 7499–7502, DOI:10.1021/acs.inorgchem.8b00776

Na1.5La1.5TeO6: Na+ conduction in a novel Na-rich double perovskite, M. Amores, P. J. Baker, E. J. Cussen and S. A. Corr, Chem. Commun., 2018,54, 10040-10043, DOI:10.1039/C8CC03367F

7Li NMR Chemical Shift Imaging To Detect Microstructural Growth of Lithium in All-Solid-State Batteries, Lauren E. Marbella, Stefanie Zekoll, Jitti Kasemchainan, Steffen P. Emge, Peter G. Bruce, and Clare P. Grey Chem. Mater.20193182762-2769 DOI - 10.1021/acs.chemmater.8b04875

What Triggers Oxygen Loss in Oxygen Redox Cathode Materials? Robert A. House, Urmimala Maitra, Liyu Jin, Juan G. Lozano, James W. Somerville, Nicholas H. Rees, Andrew J. Naylor, Laurent C. Duda, Felix Massel, Alan V. Chadwick, Silvia Ramos, David M. Pickup, Daniel E. McNally, Xingye Lu, Thorsten Schmitt, Matthew R. Roberts, and Peter G. Bruce Chem. Mater.20193193293-3300 DOI - 10.1021/acs.chemmater.9b00227

Nature of the “Z”-phase in Layered Na-ion Battery Cathodes, James W. Somerville, Adam Sobkowiak, Nuria Tapia-Ruiz, Juliette Billaud, Juan G. Lozano, Robert A. House, Leighanne C. Gallington, Tore Ericsson, Lennart Häggström, Matthew R. Roberts, Urmimala Maitra and Peter G. Bruce Energy and Environmental Science DOI - 10.1039/C8EE02991A

Critical stripping current leads to dendrite formation on plating in lithium anode solid electrolyte cells, Jitti Kasemchainan, Stefanie Zekoll, Dominic Spencer Jolly, Ziyang Ning, Gareth O. Hartley, James Marrow & Peter G. Bruce, Nature Materials (2019)

Degradation

Evolution of Electrochemical Cell Designs for In-Situ and Operando 3D Characterization, Tan C, Daemi SR, Taiwo, Heenan TMM, Brett DJL, Shearing PR., Materials (Basel), (2018) Nov 1;11(11). pii: E2157, DOI: 10.3390/ma11112157

In‐Situ Electrochemical SHINERS Investigation of SEI Composition on Carbon‐Coated Zn0.9Fe0.1O Anode for Lithium‐Ion Batteries, Laura Cabo‐Fernandez, Dominic Bresser, Filipe Braga, Stefano Passerini, Laurence J. Hardwick, Batteries & Supercaps, 2018, https://doi.org/10.1002/batt.201800063

Modelling and experiments to identify high-risk failure scenarios for testing the safety of lithium-ion cells, Donal P. Finegan, John Darst, William Walker, Qibo Li, Chuanbo Yang, Rhodri Jervis, Thomas M.M.Heenan Jennifer Hack, James C.Thomas, Alexander Rack, Dan J.L. Brett, Paul R. Shearing, Matt Keyser, Eric Darcy, Journal of Power Sources, Volume 417, 31 March 2019, Pages 29-41
https://doi.org/10.1016/j.jpowsour.2019.01.077

4D Visualisation of in situ nano-compression of Li-ion cathode materials to mimic early stage calendaring, S.R. Daemi, X. Lu, D. Sykes, J. Behnsen, C. Tan, A Palacios-Padros, J. Cookson, E. Petrucco, P.J. Withers, D. J. L. Brett, and Paul Shearing, Mater. Horiz, 2019 Advance Article
https://doi.org/10.1039/C8MH01533C

Evolution of Structure and Lithium Dynamics in LiNi0.8Mn0.1Co0.1O2(NMC811) Cathodes during Electrochemical Cycling, K. Märker, P. Reeves, C. Xu, K. Griffith and C. Grey, Chemistry of Materials, 11 March 2019. DOI: 10.1021/acs.chemmater.9b00140

Spatially Resolving Lithiation in Silicon–Graphite Composite Electrodes via in Situ High-Energy X-ray Diffraction Computed Tomography, Donal P. Finegan, Antonis Vamvakeros, Lei Cao, Chun Tan, Thomas M. M. Heenan, Sohrab R. Daemi, Simon D. M. Jacques, Andrew M. Beale, Marco Di Michiel, Kandler Smith, Dan J. L. Brett Paul R. Shearing, and Chunmei Ban, Nano Letters 2019 19 (6), 3811-3820. DOI: 10.1021/acs.nanolett.

Porous Metal–Organic Frameworks for Enhanced Performance Silicon Anodes in Lithium-Ion Batteries, Romeo Malik, Melanie. J. Loveridge, Luke J. Williams, Qianye Huang, Geoff West, Paul R. Shearing, Rohit Bhagat, Richard I. Walton. Chem. Mater 2019, 31, 11, 4156-4165; May 15, 2019. https://doi.org/10.1021/acs.chemmater.9b00933                    

Temperature Considerations for Charging Li-Ion Batteries: Inductive versus Mains Charging Modes for Portable Electronic Devices. Loveridge, Melanie & Tan, Chaou & M. Maddar, Faduma & Remy, Guillaume & Abbott, Mike & Dixon, Shaun & McMahon, Richard & Curnick, Ollie & Ellis, Mark & Lain, Mike & Barai, Anup & Amor-Segan, Mark & Bhagat, Rohit & Greenwood, Dave, ACS Energy Letters, 2019, 4. 1086-1091. 10.1021/acsenergylett.9b00663    

ReLiB

Prospective LCA of the production and EoL recycling of a novel type of Li-ion battery for electric vehicles, Raugei M., Winfield P, Journal of Cleaner Production; Volume 213 (2019) 926-932, DOI:10.1016/j.jclepro.2018.12.237

Production of Biogenic Nanoparticles for the Reduction of 4-Nitrophenol and Oxidative Laccase-Like Reactions. Capeness MJ, Echavarri-Bravo V, Horsfall LE, Front Microbiol. 2019;10:997. Published 2019 May 7. doi:10.3389/fmicb.2019.00997

The role of electric vehicles in near-term mitigation pathways. Hill, G; Heidrich, O.; Creutzig, F; and P. Blythe. Applied Energy, 8.43, 2019.                                 

Emissions from urban bus fleets running on biodiesel blends under real-world operating conditions: Implications for designing future case studies. Rajaeifar, Tabatabaie, Nizami, Aghbashlu, Heidrich. Renewable and Sustainable Energy Reviews 10.56, 276-292.