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2018
Equipe Electrochimie et Liquides Ioniques
Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes M. Burbano, M. Duttine, B.J. Morgan, O.J. Borkiewicz, K.W. Chapman, A. Wattiaux, A. Demourgues, H. Groult, M. Salanne, Damien Dambournet, J. Phys. Chem. Lett., in press (2018) A Molecular Density Functional Theory Approach to Electron Transfer Reactions G. Jeanmairet, B. Rotenberg, M. Levesque, D. Borgis, M. Salanne, Chem. Sci., in press (2018) Performance of Microporous Carbon (...)
Equipe Modélisations et Expériences Multiéchelles
Underscreening in ionic liquids : a first principles analysis B. Rotenberg, O. Bernard, J.-P. Hansen, J. Phys. Condens. Matter, 30, 054005 (2018). Ion-ion correlations across and between electrified graphene layers T. Mendez-Morales, M. Burbano, M. Haeffele, B. Rotenberg, M. Salanne, J. Chem. Phys., 148, 193812 (2018). Daan Frenkel – An entropic career B. Evans, A. Galindo, G. Jackson, R. Lynden-Bell, B. Rotenberg, Mol. Phys., 116(21-22), 2737 (2018). Moment propagation method for (...)