Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Alexander G. Squires"'
Autor:
Kit McColl, Robert A. House, Gregory J. Rees, Alexander G. Squires, Samuel W. Coles, Peter G. Bruce, Benjamin J. Morgan, M. Saiful Islam
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-8 (2022)
The oxygen-redox mechanism in lithium-rich disordered rocksalt cathode materials is still not well understood. Here, the authors show that in Li2MnO2F, molecular oxygen forms in the bulk during charge and is re-incorporated into the structure as oxyg
Externí odkaz:
https://doaj.org/article/95fdf0691c24448785591ffcfd617781
Autor:
Alexander G. Squires, David O. Scanlon
Suppressing unfavourable short-range ordering in disordered rock salt lithium-ion cathode materials is seen as a key research goal on their route to commercialisation. In this study we use cluster-expansion-driven Monte Carlo simulations of a model 3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3a3bfb6e504df73b177e4bd849a51ee
https://doi.org/10.26434/chemrxiv-2023-twxlq
https://doi.org/10.26434/chemrxiv-2023-twxlq
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
Publikováno v:
Journal of Materials Chemistry A.
Using first-principles calculations, a comprehensive intrinsic defect study on high-voltage spinel LiMn1.5Ni0.5O4 (LMNO) cathode shows that the defect chemistry of this material is dominated by cation antisites and their complexes.
Autor:
Alexander G. Squires, Daniel W. Davies, Sunghyun Kim, David O. Scanlon, Aron Walsh, Benjamin J. Morgan
Publikováno v:
Physical Review Materials. 6
Publikováno v:
Journal of Open Source Software. 8:4962
Autor:
Sean P. Culver, Cheng Li, Benjamin J. Morgan, Wolfgang G. Zeier, Alexander G. Squires, Callum W. F. Armstrong, Felix Böcher, Thorben Krauskopf, Nicolò Minafra
Publikováno v:
Journal of the American Chemical Society
Strategies to enhance ionic conductivities in solid electrolytes typically focus on the effects of modifying their crystal structures or of tuning mobile-ion stoichiometries. A less-explored approach is to modulate the chemical bonding interactions w
Autor:
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, Benjamin J. Morgan
Publikováno v:
Coles, S, Falkowski, V, Geddes, H, Pérez, G, Booth, S, Squires, A, O'Rourke, C, McColl, K, Goodwin, A, Cussen, S, Clarke, S, Saiful Islam, M & Morgan, B 2023, ' Anion-polarisation–directed short-range-order in antiperovskite Li 2 FeSO ', Journal of Materials Chemistry A . https://doi.org/10.48550/arXiv.2212.13485, https://doi.org/10.1039/D2TA10037A
Short-range ordering in cation-disordered cathodes can have a significant effect on their electrochemical properties. Here, we characterise the cation short-range order in the antiperovskite cathode material Li2FeSO, using density functional theory,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ea4fbf92abe9cedfe46e58754195049
Aliovalent doping of solid electrolytes with the intention of increase the concentration of charge carrying mobile defects is a common strategy for enhancing their ionic conductivities. For the antiperovskite lithium-ion solid electrolyte Li3OCl, bot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96c7b7e4a0708a12a1bcc1fe5e9bef19
https://doi.org/10.33774/chemrxiv-2021-hzrls
https://doi.org/10.33774/chemrxiv-2021-hzrls
Autor:
Olaf J. Borkiewicz, Damien Dambournet, Benjamin J. Morgan, Alexander G. Squires, Lorenzo Stievano, Oleg I. Lebedev, Chérazade Haouari, Antonella Iadecola, Romain Berthelot, Moulay Tahar Sougrati
Publikováno v:
Inorganic Chemistry
Inorganic Chemistry, 2021, 60 (10), pp.7217-7227. ⟨10.1021/acs.inorgchem.1c00278⟩
Haouari, C, Squires, A G, Berthelot, R, Stievano, L, Sougrati, M T, Morgan, B J, Lebedev, O I, Iadecola, A, Borkiewicz, O J & Dambournet, D 2021, ' Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides ', Inorganic Chemistry, vol. 60, no. 10, pp. 7217-7227 . https://doi.org/10.1021/acs.inorgchem.1c00278
Inorganic Chemistry, American Chemical Society, In press, 60 (10), pp.7217-7227. ⟨10.1021/acs.inorgchem.1c00278⟩
Inorganic Chemistry, 2021, 60 (10), pp.7217-7227. ⟨10.1021/acs.inorgchem.1c00278⟩
Haouari, C, Squires, A G, Berthelot, R, Stievano, L, Sougrati, M T, Morgan, B J, Lebedev, O I, Iadecola, A, Borkiewicz, O J & Dambournet, D 2021, ' Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides ', Inorganic Chemistry, vol. 60, no. 10, pp. 7217-7227 . https://doi.org/10.1021/acs.inorgchem.1c00278
Inorganic Chemistry, American Chemical Society, In press, 60 (10), pp.7217-7227. ⟨10.1021/acs.inorgchem.1c00278⟩
International audience; The effect of crystallizing solution chemistry on the chemistry of subsequently as-grown materials was investigated for Mo-substituted iron oxides prepared by thermally activated co-precipitation. In the presence of Mo ions, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0dca2eca4cec7c6a36e861ce1b9e4f01
https://hal.sorbonne-universite.fr/hal-03222581/document
https://hal.sorbonne-universite.fr/hal-03222581/document
Autor:
Aron Walsh, Sung-Hyun Kim, Daniel W. Davies, David O. Scanlon, Alexander G. Squires, Benjamin J. Morgan
Lithium-rich garnets such as Li7La3Zr2O12(LLZO) are promising solid electrolytes with potential application in all-solid-state batteries that use lithium-metal anodes. The practical use of garnet electrolytes, however, is limited by pervasive lithium
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::327fdc724535fe058f2261d0dbfd3789
https://doi.org/10.26434/chemrxiv.13154297.v1
https://doi.org/10.26434/chemrxiv.13154297.v1