58. Metal–Ligand Redox in Layered Oxide Cathodes for Li-ion Batteries

Matthew J. W. Ogley, Ashok S. Menon, Gaurav Pandey, Galo J. Páez Fajardo, Beth J. Johnston, Innes McClelland, Veronika Majherova, Steven Huband, Debashis Tripathy, Israel Temprano, Stefano Agrestini ,Veronica Celorrio ,Gabriel E. Pérez, Samuel G. Booth ,Clare P. Grey, Serena A. Cussen, Louis F. J. Piper, Elsevier Joules, 30th October 2024

57. Oxygen dimerization as a defect-driven process in bulk LiNiO2

Alexander. G. Squires, Lavan Ganeshkumar, Seán R. Kavanagh, Christopher. N. Savory, David. O. Scanlon, ACS Energy Letters, 8 4180 (2024)

56. Structural Insight into Protective Alumina Coatings for Layered Li-Ion Cathode Materials by Solid-State NMR Spectroscopy

Abby R. Haworth, Beth I. J. Johnston, Laura Wheatcroft, Sarah L. McKinney, Nuria Tapia-Ruiz, Sam G. Booth, Alisyn J. Nedoma, Serena A. Cussen, and John M. Griffin, ACS Applied Materials & Interfaces 2024, 16, 6, 7171–7181, February 2024

55. Li-Site Defects Induce Formation of Li-Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi0.5-xMxMn1.5O4 Cathodes (M=Fe, Mg; x=0.05-0.2)

Beth E. Murdock, Jiayi Cen, Alexander G. Squires, Seán R. Kavanagh, David O. Scanlon, Li Zhang, Nuria Tapia-Ruiz, Advanced Materials, 2400343, April 2024

54. In Situ Fracture Behavior of Single Crystal LiNi_0.8Mn_0.1Co_0.1O₂ (NMC811)

L.Wheatcroft, A.Bird, N.Gollapally, S. G. Booth, S.A. Cussen, B.J. Inkson, Batteries and Supercaps e202400077, March 2024

53. Anion-polarisation-directed short-range-order in antiperovskite Li2FeSO

Samuel W. Coles, Viktoria Falkowski, Harry S. Geddes, Gabriel E. Pérez, Samuel G. Booth, Alexander G. Squires, Conn O’Rourke, Kit McColl, Andrew L. Goodwin, Serena A. Cussen, Simon J. Clarke, M. Saiful Islam and Benjamin J. Morgan, Journal of Materials Chemistry A, J. Mater. Chem. A, 2023,11, 13016-13026, April 2023

52. Materials synthesis for Na-ion batteries

Jake Entwistle, Li Zhang, Hengyi Zhang, Nuria Tapia-Ruiz, Elsevier Comprehensive Inorganic Chemistry III, Pages 199-215, March 2023, 

51. Developments and further applications of ephemeral data derived potentials

Pascal T. Salzbrenner, S.H.Joo, L.J. Conway, P.I.C.Cooke, B.Zhu, M.P. Matraszek, W.C.Witt, C.J. Pickard, The Journal of Chemical Physics,  159, 144801 (2023) Issue 14, 14 October 2023

50. Influence of Cation Substitution on Cycling Stability and Fe-Cation Migration in Li3Fe3–xMxTe2O12 (M = Al, In) Cathode Materials 

X.M. de Irujo Labalde, M.Y. Lee, H.Grievson, J.M.Mortimer, S.G. Booth, E.Suard, S.A. Cussen, M. A. Hayward, Inorganic Chemistry, 2024, 63, 2, 1395–1403,  January 2024

49. Van Vleck analysis of angularly distorted octahedra using Van Vleck Calculator, 

L. A. V. Nagle-Cocco and S. E. Dutton, Journal of Applied Crystallography, Volume 57, Part 1, pages 20-33, February 2024 

48. Mechanosynthesis of Disordered Rock Salt Structures: Thermodynamic and Kinetic Considerations

Xuan Zhi , A. R. West, Chemical Materials 2023, 35, 17, 6790–6798, August 2023

47. The strength of a constrained lithium layer 

J.C.Stallard, S.Vema, C.P.Grey, V.S.Deshpande, N.A.Fleck, Acta Materialia,  Volume 260, 1 November 2023, 119313,  in collaboration with Faraday projects Degradation and Solbat

46. 3D Nanocomposite Thin Film Cathodes for Micro-Batteries with Enhanced High-Rate Electrochemical Performance over Planar Films

A.J.Lovett, V. Daramalla, D.Nayak, F. N. Sayed, A. Mahadevegowda, Caterina Ducati, B. F. Spencer, S.E. Dutton, C. P. Grey, J. L. MacManus-Driscoll, Advanced Energy Materials, Volume 13, Issue 38, 2302053, October 2023, in collaboration with Faraday CATMAT project

45. Elucidating local diffusion dynamics in nickel-rich layered oxide cathodes 

B.I.J. Johnston, I.McClelland, P.J.Baker and  S.A.Cussen, Physical Chemistry Chemical Physics,2023,25, 25728-25733, September 2023

44. Decoding short-range order in cation-disordered rocksalt materials using Metropolis non-negative matrix factorisation

X.Hua, T.Dean, S.A Cussen and Andrew L Goodwin, JPhys Materials,, Volume 6, Number 4, September 2023

43.  Insights into surface chemistry down to nanoscale: An accessible colour hyperspectral imaging approach for scanning electron microscopy

J.F.Nohl, N.T.H Farr, Y. Sun, G.M.Hughes,  N.Stehling, J. Zhang, F.Longman, G.Ives, Z.Pokorná, F.Mika, V.Kumar, L. Mihaylova, C.Holland, S.A.Cussen, C.Rodenburg, Materials Today Advances volume 19 , August 2023

42. Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials

A.G.Squires, D.O.Scanlon, Journal of Materials Chemistry A, June 2023

41. Low Temperature Epitaxial LiMn2O4 Cathodes Enabled by NiCo2O4 Current Collector for High-Performance Microbatteries

A.J.Lovett, V. Daramalla, F.N. Sayed, D.Nayak, M.M. de h-Óra, C.P. Grey, S.E.Dutton, and J.L MacManus-Driscoll,  ACS Energy Lett. 2023, 8, 3437–3442

40. Direct Observation of Dynamic Lithium Diffusion Behaviour in Nickel-Rich, LiNi0.8Mn0.1Co0.1O2 (NMC811) Cathodes using Operando Muon

I.McClelland, S.G.Booth, N.N.Anthonisamy, A.Middlemiss, G.E.Pérez  E.J.Cussen, P.J.Baker, S.A.Cussen, Chemical Materials (Chem.Mater.) 2023 11, 4149–4158

39. Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction

J.Cen, B.Zhu, D.O.Scanlon, JPhys Energy Volume 5, June 2023

38. Cation disorder dominates the defect chemistry of high-voltage LiMn_1.5Ni_0.5O₄ (LMNO) spinel cathodes

J.Cen, B.Zhu, S.R.Kavanagh, A.G.Squires, D.O.Scanlon, Journal of Materials Chemistry A, April 2023

37.  Neutron and muon characterisation techniques for battery materials

G.E.Pérez, J.E.Brittain, I.McClelland, S.Hull, M.O.Jones, H.Y.Playford, S.A.Cussen, P.J.Baker, E.J.Reynolds , Journal of Materials Chemistry A, April 2023

36. Fracture Testing of Li-ion Battery Cathode Secondary Particles In-situ inside the Scanning Electron Microscope

L. Wheatcroft, A. Bird, J.C. Stallard, R.L. Mitchell, S.G.Booth, A.J. Nedoma, M F L De Volder, S.A. Cussen, N.A.Fleck, B.J.Inkson  Batteries & Supercaps, March 2023

35. Oxygen-redox activity in non-Li-excess W-doped LiNiO2

A.S.Menon, B.J. Johnston, S.G. Booth, L. Zhang, K. Kress, B.E. Murdock, G. Paez Fajardo, N.N. Anthonisamy, N. Tapia-Ruiz, S. Agrestini, M. Garcia-Fernandez, K. Zhou, P.K. Thakur, T.L. Lee, A.J. Nedoma, S.A. Cussen, and L.F.J. Piper,  Chemistry of Materials 35 (2023) 337, March 2023

34. Suppression of Fe-cation migration by indium substitution in LiFe2-xInxSbO6 cathode materials

X.M.D.I. Labalde, H.Grievson, JM. Mortimer, S.G.Booth, A.Scrimshaw, P.A.Bingham, E.Suard, S.A. Cussen, M.A. Hayward, PRX Energy 2, 013005, December 2022

33. Solid-State NMR Studies of Coatings and Interfaces in Batteries

Abby R.Haworth, Chris W.Cook, John M.Griffin, Elsevier Current Opinion in Colloid & Interface Science, Special NMR issue

32. Recovering local structure information from high-pressure total scattering experiments

A. Herlihy, H. S. Geddes, G. C. Sosso, C. L. Bull, C. J. Ridley, A. L. Goodwin, M. S. Senn and N. P. Funnell, Journal of Applied Crystallography, Volume 54, Part 6, December 2021, Pages 1546-1554

31. Co-precipitation synthesis of nickel-rich cathodes for Li-ion batteries

Thomas Entwistle, Enrique Sanchez-Perez, Glen J. Murray, Nirmalesh Anthonisamy, Serena A.Cussen, Elsevier Energy Reports, Volume 8, Supplement 11, November 2022, Pages 67-73 

30. Cathodes for Mg batteries: A condensed review

Jethro J.Pryke, Rhiannon M.Kennard, Serena A.Cussen, Elsevier Energy Reports, Volume 8, Supplement 11, November 2022, Pages 83-88

29. Roadmap on Li-ion battery manufacturing research 

Patrick S Grant, David Greenwood, Kunal Pardikar, Rachel Smith, Thomas Entwistle, Laurence A. Middlemiss, Glen Murray, Serena A. Cussen, M. J. Lain, M. J. Capener, M. Copley, Carl D. Reynolds, Sam D. Hare, Mark J.H. Simmons, Emma Kendrick, Stanislaw P. Zankowski, Samuel Wheeler, Pengcheng Zhu Peter R Slater, Yeshui Zhang, Andrew R.T. Morrison, Will Dawson, Juntao Li, Paul R. Shearing, Dan J.L. Brett, Guillaume Matthews, Ruihuan Ge, Ross Drummond, Eloise C. Tredenick, Chuan Cheng, Stephen R. Duncan, Adam M. Boyce, Mona Faraji-Niri, James Marco, Luis A Roman-Ramirez Charlotte Harper, Paul Blackmore, Tim Shelley, Ahmad Mohsseni and Denis J. Cumming, JPhys Energy 2022 

28. Surface reduction in lithium- and manganese-rich layered cathodes for lithium ion batteries drives voltage decay

Bo Wen, Farheen N. Sayed, Wesley M. Dose, Jędrzej K. Morzy, Yeonguk Sonaf, Supreeth Nagendranb, Caterina Ducatide, Clare P. Grey Michael F. L. De Volder, Journals of Materials Chemistry 2022, Advance Article

27. Low-voltage SEM of air-sensitive powders: From sample preparation to micro/nano analysis with secondary electron hyperspectral imaging

Nohl JF, Farr NTH, Sun Y, Hughes GM, Cussen SA,  Rodenburg C, Elsevier Micron, Volume 156, , 103234, May 2022

26. Identifying Hidden Li–Si–O Phases for Lithium-Ion Batteries via First-Principle Thermodynamic Calculations

Qu J, Ning C, Feng X, Yao B , Liu B , Lu Z ,Wang T, Wei Z,  Siqi S , Zhang Q Energy & Environmental Materials, Wiley Online Library, December 2021

25. Misreported Non-aqueous Reference Potential: The Battery Research Endemic

Murdock BE, Armstrong CG, Smith DE, Tapia-Ruiz N, Toghill KE, Joule Volume 6, Issue 5, Pages 928-934,  May 2022

24. Mechanical Properties of Cathode Materials for Lithium Ion Batteries 

Stellard JC, Wheatcroft L, Booth SG, De Volder MFL, Inkson BJI, Fleck NA, Cussen SA, Boston R, Joule, Volume 6, Issue 5,  Pages 984-1007, May 2022

23. Lithium-based vertically aligned nancomposite films incorporating LixLa0.32(Nb0.7Ti0.32) O3 electrolyte with high Li+ ion conductivity

Lovett AJ, Kursumovic A, Dutton S, Qi Z, Wang H, Driscoll JLM, APL Materials,  10, 051102 (2022)

22. Effect of lithiation upon the shear strength of NMC811 single crystals

Stellard JC,  Vema S, Hall DS, Dennis A, Penrod ME, Grey CP, Deshpande VS, Fleck NA, Journal of the Electrochemical Society, Volume 169, 4, 2022

21. Pressure tuning the Jahn-Teller transition temperature in NaNiO2 

Nagle-Cocco LAV, Bull C.L, Ridley CJ, and Dutton SE, ACS Inorganic Chemistry 2022, 61, 10, 4312–4321

20. Conversion of Li2FeSbO5 to the Fe(III)/Fe(V) phase LiFeSbO5 via topochemical lithium extraction

Martínez De Irujo Labalde X, Scrimshire A, Bingham PA, Suard E, Hayward M ACS Chemistry of Materials  2022, 34, 5, 2468–2475 

19. Predicting Lithium Iron Oxysulfides for Battery Cathodes

Zhu B, Scanlon DO, ACS Appl. Energy Materials. 2022, 5, 1, 575–584

18. Accelerating cathode material discovery through ab initio random structure searching

Zhu B, Lu Z, Scanlon DO, Pickard CJ, APL Materials, Volume 9, Issue 12 2021

17. Insights Into the Electric Double-Layer Capacitance of Two-Dimensional Electrically Conductive Metal-Organic Frameworks

Balhatchet CJ, Chen Y, Liu C,  Madden DG, Britto S, Golomb MJ, Walsh A,  Fairen-Jimenez D, Dutton SE , Forse AC , Journal of Materials Chemistry A, Issue 1 2021

16. Extracting Interface Correlations from the Pair Distribution Function of Composite Materials

Geddes H, Hutchinson HD , Ha AR, Funnell NP, Goodwin AL,  ChemRxiv – Physical Chemistry

15. Common workflows for computing material properties using different quantum engines

Huber SP, Bosoni E, Bercx M,  Bröder J, Degomme A, Dikan V, Eimre K,  Flage-Larsen E, Garcia A, Genovese L, Gresch D, Johnston C,  Petretto G,  Poncé S, Rignanese GM, Sewell CJ, Smit B,  Tseplyaev V, Uhrin M,  Wortmann D,  Yakutovich AV, Zadoks A, Zarabadi-Poor P, Zhu B, Nicola Marzari N, Pizzi G, npj Computational Materials 7, Article 136 (2021)

14. Lithiation phase behaviors of metal oxide anodes and extra capacities

Hua X, Allan PK, Geddes HS, Castillo-Martínez E, Chater PA, Dean TS,  Minelli A, Bruce PG, Goodwin AL, Cell Reports Physical Science, Volume 2, Issue 9, September 2021

13. Computational insights into the ionic transport mechanism and interfacial stability of the Li2OHCl solid-state electrolyte

Liu B, Hua Q, Gao T, Liao P, Wen Y, Lu Z, Yang J,  Shib S, Zhang W, Journal of Materiomics, June 2021 

12. Reliable protocols for calculating the specific energy and energy density of Li-Ion batteries

Yeonguk Son Y ,Cha H, Jo C , Groombridge AS, Lee T, Boies A,  Jaephil Cho J, De Volder M, Materials Today Energy, Volume 21 (September 2021)

11. A compliant and low-expansion 2-phase micro-architectured material, with potential application to solid-state Li-ion batteries

Zhao Ying, Deshpande Vikram S, Fleck Norman A, Journal of the Mechanics and Physics of Solids Volume 158 

10. A Perspective on the Sustainability of Cathode Materials used in Lithium-Ion Batteries

Murdock Beth E, Toghill Kathryn E, Tapia-Ruiz N Advanced Energy Materials, Volume 11, Issue 39, ( 2021)

9. Perspectives for next generation lithium-ion battery cathode materials

Booth SG, Nedoma AJ, Anthonisamy NN, Baker PJ, Boston R, Bronstein H, Clarke SJ, Cussen EJ, Daramalla V, DeVolder M, Dutton SE, Falkowski V, Fleck NA, Geddes HS, Gollapally N, Goodwin AL, Griffin JM, Haworth AR, Hayward MA, Hull S, Inkson BJ, Johnston BJ, Lu Z, MacManus-Driscoll JL, Martínez De Irujo Labalde X, McClelland I, McCombie K, Murdock B, Nayak D, Park S, Pérez GE, Pickard CJ, Piper LFJ, Playford HY, Price S, Scanlon DO, Stellard JC, Tapia-Ruiz N, West AR, Wheatcroft L, Wilson M, Zhang Li, Zhi X, Zhu B, Cussen SA , APL Materials Volume 9, Issue 10

8. Ion dynamics in fluoride-containing polyatomic anion cathodes by muon spectroscopy

Johnston BI , Peter J Baker PJ and Cussen SA, Journal of Physics: Materials, Issue 4

7. Ab initio random structure searching for battery cathode materials

Lu Z, Zhu B, Shires BWB, Scanlon DO, Pickard CJ, Journal of Chemical Physics 154, 174111 (2021)

6. Revisiting metal fluorides as lithium-ion battery cathodes

Hua X, Eggeman AS, Castillo-Martínez E, Robert R, Geddes HS, Lu Z, Pickard CJ, Meng W, Wiadereck KM, Pereira N, Amatucci GG, Midgley PA, Chapman KW, Steiner U, Goodwin AL, Grey CP,  Nature Materials – January 2021 

5. In Situ Diffusion Measurements of a NASICON-Structured All-Solid-State Battery Using Muon Spin Relaxation,

McClelland I, Booth SG,  El-Shinawi H, Johnston BIJ, Clough J, Guo W,  Cussen EJ, Baker PJ, and Corr SA, ACS Appl. Energy Materials 2021, 4, 2, 1527. January 2021

4. Non-equilibrium metal oxides via reconversion chemistry in lithium-ion batteries,

Hua X, Allan PK, Gong C, Chater PA, Schmidt EM, Geddes HS, Robertson AW, Bruce PG, Goodwin AL, Nature Communications 12, 2021  – January 2021 

3. Low-cost descriptors of electrostatic and electronic contributions to anion redox activity in batteries​ ,

Davies DW,  Morgan BJ, David O Scanlon DO and Walsh A​, IOPSciNotes – July 2020

2. Muon Spectroscopy for Investigating Diffusion in Energy Storage Materials​,

McClelland I,  Johnston B,  Baker PJ, Amores M, Cussen EJ and Corr SA​, Annual Review of Materials Research – July 2020

1. Evaluating lithium diffusion mechanisms in the complex spinel LiNiGeO,

Martin DZC, Haworth AR, Schmidt WL, Baker PJ, Boston R, Johnston KE, Reeves-McLaren N, Physical chemistry chemical physics : PCCP – October 2019