Publications

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, 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

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