Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Kit McColl"'
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:
Robert A. House, Gregory J. Rees, Kit McColl, John-Joseph Marie, Mirian Garcia-Fernandez, Abhishek Nag, Ke-Jin Zhou, Simon Cassidy, Benjamin J. Morgan, M. Saiful Islam, Peter G. Bruce
Publikováno v:
House, R A, Rees, G J, McColl, K, Marie, J J, Garcia-Fernandez, M, Nag, A, Zhou, K J, Cassidy, S, Morgan, B J, Saiful Islam, M & Bruce, P G 2023, ' Delocalized electron holes on oxygen in a battery cathode ', Nature Energy, vol. 8, no. 4, pp. 351-360 . https://doi.org/10.1038/s41560-023-01211-0
Oxide ions in transition metal oxide cathodes can store charge at high voltage offering a route towards higher energy density batteries. However, upon charging these cathodes, the oxidized oxide ions condense to form molecular O2 trapped in the mater
Autor:
Péter Németh, Kit McColl, Laurence A.J. Garvie, Furio Corà, Christoph G. Salzmann, Paul F. McMillan
Publikováno v:
Resolution and Discovery. 6:1-6
Shock waves resulting from asteroidal and laboratory impacts convert sp2-bonded graphitic material to sp3-bonded diamond. Depending on the shock pressure and temperature conditions, complex nanostructures can form that are neither graphite nor diamon
Lithium-rich oxide cathodes lose energy density during cycling due to atomic disordering and nanoscale structural rearrangements, both of which are challenging to characterise. Here we use a combined approach of ab initio molecular dynamics and clust
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5f7287d9e9e5cb75a722de9238815ae
https://doi.org/10.26434/chemrxiv-2023-9v2dw
https://doi.org/10.26434/chemrxiv-2023-9v2dw
Autor:
Péter, Németh, Hector J, Lancaster, Christoph G, Salzmann, Kit, McColl, Zsolt, Fogarassy, Laurence A J, Garvie, Levente, Illés, Béla, Pécz, Mara, Murri, Furio, Corà, Rachael L, Smith, Mohamed, Mezouar, Christopher A, Howard, Paul F, McMillan
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America. 119(30)
Studies of dense carbon materials formed by bolide impacts or produced by laboratory compression provide key information on the high-pressure behavior of carbon and for identifying and designing unique structures for technological applications. Howev
Autor:
Kenneth R. Poeppelmeier, Rebecca Dally, Furio Corà, Runze Li, Kent J. Griffith, Megan M. Butala, Igor Levin, Kit McColl, Jason E. Douglas
Publikováno v:
Journal of Materials Chemistry A. 9:20006-20023
Wadsley–Roth (WR) crystallographic shear structures demonstrate high energy and power densities as Li-ion battery anode materials. We report the (de)lithiation behavior of two WR-derived layered niobates: NaNb3O8 and KNb3O8. Both demonstrate multi-
Autor:
Furio Corà, Kit McColl
Publikováno v:
Journal of Materials Chemistry A. 9:7068-7084
Materials with Wadsley–Roth (W–R) crystallographic shear and bronze-type structures display fast lithium (Li)-ion diffusion and are of interest as anode materials for high-power Li-ion batteries. Here we use density-functional-theory calculations
Autor:
Ryan Wang, Jianwei Li, Yiding Jiao, Haobo Dong, Dan J. L. Brett, Jasper Berry-Gair, Liqun Kang, Guanjie He, Furio Corà, Kit McColl, Ivan P. Parkin, Hao Jiang
Publikováno v:
Journal of Materials Chemistry A. 8:22075-22082
The primary issue faced by MnO2 cathode materials for aqueous Zn-ion batteries (AZIBs) is the occurrence of structural transformations during cycling, resulting in unstable capacity output. Pre-intercalating closely bonded ions into the MnO2 structur
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
Autor:
Maria Chiara Domeneghetti, Martin Hart, Adrian P. Jones, Rachael L. Smith, Nikolay V. Sobolev, Kit McColl, Alla M. Logvinova, Christoph G. Salzmann, Mara Murri, Matteo Alvaro, Paul F. McMillan, Furio Corà, Péter Németh, Fabrizio Nestola, Sergey A. Vishnevsky
Publikováno v:
Scientific Reports, Vol 9, Iss 1, Pp 1-8 (2019)
Scientific Reports
Scientific Reports
Diamond is a material of immense technological importance and an ancient signifier for wealth and societal status. In geology, diamond forms as part of the deep carbon cycle and typically displays a highly ordered cubic crystal structure. Impact diam