Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes
McColl, Kit, House, Robert A., Rees, Gregory J., Squires, Alexander G., Coles, Samuel W., Bruce, Peter G., Morgan, Benjamin J., Islam, M. Saiful
Published in Nature communications (07.09.2022)
Published in Nature communications (07.09.2022)
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Journal Article
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solvent
Coles, Samuel W, Smith, Alexander M, Fedorov, Maxim V, Hausen, Florian, Perkin, Susan
Published in Faraday discussions (01.01.2018)
Published in Faraday discussions (01.01.2018)
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Journal Article
Simulation of a Solvate Ionic Liquid at a Polarizable Electrode with a Constant Potential
Coles, Samuel W, Ivaništšev, Vladislav B
Published in Journal of physical chemistry. C (21.02.2019)
Published in Journal of physical chemistry. C (21.02.2019)
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Journal Article
Phase segregation and nanoconfined fluid O2 in a lithium-rich oxide cathode
McColl, Kit, Coles, Samuel W., Zarabadi-Poor, Pezhman, Morgan, Benjamin J., Islam, M. Saiful
Published in Nature materials (01.06.2024)
Published in Nature materials (01.06.2024)
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Journal Article
Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4
Mercadier, Briséïs, Coles, Samuel W., Duttine, Mathieu, Legein, Christophe, Body, Monique, Borkiewicz, Olaf J., Lebedev, Oleg, Morgan, Benjamin J., Masquelier, Christian, Dambournet, Damien
Published in Journal of the American Chemical Society (01.11.2023)
Published in Journal of the American Chemical Society (01.11.2023)
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Journal Article
Anion-polarisation-directed short-range-order in antiperovskite Li2FeSO
Coles, Samuel W, Falkowski, Viktoria, Geddes, Harry S, Pérez, Gabriel E, Booth, Samuel G, Squires, Alexander G, O'Rourke, Conn, McColl, Kit, Goodwin, Andrew L, Cussen, Serena A, Clarke, Simon J, M Saiful Islam, Morgan, Benjamin J
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
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Journal Article
Anion-polarisation-directed short-range-order in antiperovskite Li 2 FeSO
Coles, Samuel W, Falkowski, Viktoria, Geddes, Harry S, Pérez, Gabriel E, Booth, Samuel G, Squires, Alexander G, O'Rourke, Conn, McColl, Kit, Goodwin, Andrew L, Cussen, Serena A, Clarke, Simon J, Islam, M Saiful, Morgan, Benjamin J
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
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Journal Article
Pushing the boundaries of lithium battery research with atomistic modelling on different scales
Morgan, Lucy M, Mercer, Michael P, Bhandari, Arihant, Peng, Chao, Islam, Mazharul M, Yang, Hui, Holland, Julian, Coles, Samuel W, Sharpe, Ryan, Walsh, Aron, Morgan, Benjamin J, Kramer, Denis, Islam, M Saiful, Hoster, Harry E, Edge, Jacqueline Sophie, Skylaris, Chris-Kriton
Published in Progress in energy (01.01.2022)
Published in Progress in energy (01.01.2022)
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Journal Article
A Graphene Surface Force Balance
Britton, Jude, Cousens, Nico E. A, Coles, Samuel W, van Engers, Christian D, Babenko, Vitaliy, Murdock, Adrian T, Koós, Antal, Perkin, Susan, Grobert, Nicole
Published in Langmuir (30.09.2014)
Published in Langmuir (30.09.2014)
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Journal Article
Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF 4
Mercadier, Briséïs, Coles, Samuel W., Duttine, Mathieu, Legein, Christophe, Body, Monique, Borkiewicz, Olaf J., Lebedev, Oleg, Morgan, Benjamin J., Masquelier, Christian, Dambournet, Damien
Published in Journal of the American Chemical Society (01.11.2023)
Published in Journal of the American Chemical Society (01.11.2023)
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Journal Article
Phase segregation and nanoconfined fluid O 2 in a lithium-rich oxide cathode
McColl, Kit, Coles, Samuel W, Zarabadi-Poor, Pezhman, Morgan, Benjamin J, Islam, M Saiful
Published in Nature materials (13.05.2024)
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Published in Nature materials (13.05.2024)
Journal Article
Anion-polarisation-directed short-range-order in antiperovskite LiFeSO
Coles, Samuel W, Falkowski, Viktoria, Geddes, Harry S, Pérez, Gabriel E, Booth, Samuel G, Squires, Alexander G, O'Rourke, Conn, McColl, Kit, Goodwin, Andrew L, Cussen, Serena A, Clarke, Simon J, Islam, M. Saiful, Morgan, Benjamin J
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (20.06.2023)
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Journal Article
The nanostructure of a lithium glyme solvate ionic liquid at electrified interfacesElectronic supplementary information (ESI) available: Containing a description of the nanostructure at the positive electrode, simulations of bulk solvate ionic liquid, cell potential plots, and force field parameters. See DOI: 10.1039/c7cp00837f
Coles, Samuel W, Mishin, Maksim, Perkin, Susan, Fedorov, Maxim V, Ivaništšev, Vladislav B
Year of Publication 10.05.2017
Year of Publication 10.05.2017
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Journal Article
Interfacial structure and structural forces in mixtures of ionic liquid with a polar solventElectronic supplementary information (ESI) available. See DOI: 10.1039/c7fd00168a
Coles, Samuel W, Smith, Alexander M, Fedorov, Maxim V, Hausen, Florian, Perkin, Susan
Year of Publication 14.12.2017
Year of Publication 14.12.2017
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Journal Article
Reduced variance analysis of molecular dynamics simulations by linear combination of estimators
Coles, Samuel W, Mangaud, Etienne, Frenkel, Daan, Rotenberg, Benjamin
Published in arXiv.org (22.04.2021)
Published in arXiv.org (22.04.2021)
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Journal Article