Sources of conductivity and doping limits in CdO from hybrid density functional theory M Burbano, DO Scanlon, GW Watson
Journal of the American Chemical Society 133 (38), 15065-15072, 2011
227 2011 Oxygen Vacancy Ordering and the Conductivity Maximum in Y2 O3 -Doped CeO2 M Burbano, ST Norberg, S Hull, SG Eriksson, D Marrocchelli, PA Madden, ...
Chemistry of Materials 24 (1), 222-229, 2012
132 2012 Ceria co-doping: synergistic or average effect? M Burbano, S Nadin, D Marrocchelli, M Salanne, GW Watson
Physical Chemistry Chemical Physics 16 (18), 8320-8331, 2014
87 2014 Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric M Burbano, D Carlier, F Boucher, BJ Morgan, M Salanne
Physical review letters 116 (13), 135901, 2016
79 2016 A dipole polarizable potential for reduced and doped CeO2 obtained from first principles M Burbano, D Marrocchelli, B Yildiz, HL Tuller, ST Norberg, S Hull, ...
Journal of Physics: Condensed Matter 23 (25), 255402, 2011
54 2011 Study of NaF–AlF3 Melts by Coupling Molecular Dynamics, Density Functional Theory, and NMR Measurements K Machado, D Zanghi, V Sarou-Kanian, S Cadars, M Burbano, M Salanne, ...
The Journal of Physical Chemistry C 121 (19), 10289-10297, 2017
41 2017 Strain effects on the ionic conductivity of Y-doped ceria: A simulation study M Burbano, D Marrocchelli, GW Watson
Journal of Electroceramics 32, 28-36, 2014
40 2014 Confinement effects on an electron transfer reaction in nanoporous carbon electrodes Z Li, G Jeanmairet, T Méndez-Morales, M Burbano, M Haefele, M Salanne
The Journal of Physical Chemistry Letters 8 (9), 1925-1931, 2017
38 2017 Anionic Ordering and Thermal Properties of FeF3 ·3H2 O M Burbano, M Duttine, O Borkiewicz, A Wattiaux, A Demourgues, ...
Inorganic Chemistry 54 (19), 9619-9625, 2015
35 2015 Ion-ion correlations across and between electrified graphene layers T Mendez-Morales, M Burbano, M Haefele, B Rotenberg, M Salanne
The Journal of chemical physics 148 (19), 2018
33 2018 Impact of anion vacancies on the local and electronic structures of iron-based oxyfluoride electrodes M Burbano, M Duttine, BJ Morgan, OJ Borkiewicz, KW Chapman, ...
The journal of physical chemistry letters 10 (1), 107-112, 2018
20 2018 Approach of the Molten Salt Chemistry for Aluminium Production: High Temperature NMR Measurements, Molecular Dynamics and DFT Calculations K Machado, D Zanghi, V Sarou-Kanian, S Cadars, M Burbano, M Salanne, ...
Advances in Molten Slags, Fluxes, and Salts: Proceedings of the 10th …, 2016
2 2016 Correlated Anion Disorder in Heteroanionic Cubic TiOF2 C Legein, BJ Morgan, AG Squires, M Body, W Li, M Burbano, M Salanne, ...
Journal of the American Chemical Society 146 (31), 21889-21902, 2024
1 2024 Supporting data for Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12 M Burbano, D Carlier, F Boucher, B Morgan, M Salanne
University of Bath, 2017
2017 A Dipole Polarizable Potential for Reduced and Doped CeO M Burbano, D Marrocchelli, B Yildiz, HL Tuller, ST Norberg, S Hull, ...
arXiv preprint arXiv:1105.4112, 2011
2011 EUROPEAN CENTRE OF EXCELLENCE EOCOE M Celino, S Giusepponi, M Gusso, U Aeberhard, A Walker, S Islam, ...
High Performance Computing on CRESCO infrastructure: research activities and …, 0