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Hermet, J., Geneste, G., Dezanneau, G. (2010) Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5. Applied Physics Letters, 97 (17). 174102pp. doi:10.1063/1.3504250

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Reference TypeJournal (article/letter/editorial)
TitleMolecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5
JournalApplied Physics Letters
AuthorsHermet, J.Author
Geneste, G.Author
Dezanneau, G.Author
Year2010 (October 25)Volume97
Issue17
PublisherAIP Publishing
DOIdoi:10.1063/1.3504250Search in ResearchGate
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Mindat Ref. ID8587586Long-form Identifiermindat:1:5:8587586:7
GUID0
Full ReferenceHermet, J., Geneste, G., Dezanneau, G. (2010) Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5. Applied Physics Letters, 97 (17). 174102pp. doi:10.1063/1.3504250
Plain TextHermet, J., Geneste, G., Dezanneau, G. (2010) Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5.5. Applied Physics Letters, 97 (17). 174102pp. doi:10.1063/1.3504250
In(2010, October) Applied Physics Letters Vol. 97 (17) AIP Publishing

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Hu, Y., Hernandez, O., Broux, T., Bahout, M., Hermet, J., Ottochian, A., Ritter, C., Geneste, G., Dezanneau, G. (2012) Oxygen diffusion mechanism in the mixed ion-electron conductor NdBaCo2O5+x. Journal of Materials Chemistry, 22. 18744pp. doi:10.1039/c2jm34396g
Hermet, J., Dupé, B., Dezanneau, G. (2012) Simulations of REBaCo2O5.5 (REGd, La, Y) cathode materials through energy minimisation and molecular dynamics. Solid State Ionics, 216. 50-53 doi:10.1016/j.ssi.2011.11.006
Samgin, Alexander L., Ezin, Alexander N. (2017) Comment on “Proton transport in barium stannate: classical, semi-classical and quantum regimes” by G. Geneste, A. Ottochian, J. Hermet and G. Dezanneau, Phys. Chem. Chem. Phys., 2015, 17, 19104. Physical Chemistry Chemical Physics, 19 (31). 21185-21190 doi:10.1039/c6cp06763h
Geneste, Grégory, Ottochian, Alistar, Hermet, Jessica, Dezanneau, Guilhem (2015) Proton transport in barium stannate: classical, semi-classical and quantum regimes. Physical Chemistry Chemical Physics, 17 (29). 19104-19118 doi:10.1039/c5cp01216c
Hermet, Jessica, Bottin, François, Dezanneau, Guilhem, Geneste, Gregory (2013) Kinetic Monte Carlo study of protonic diffusion and conduction in Gd-doped BaCeO3. Solid State Ionics, 252. 48-55 doi:10.1016/j.ssi.2013.06.001
Hermet, Jessica, Torrent, Marc, Bottin, François, Dezanneau, Guilhem, Geneste, GrĂ©gory (2013) Hydrogen diffusion in the protonic conductor BaCe1−xGdxO3−x2from density functional theory. Physical Review B, 87 (10) doi:10.1103/physrevb.87.104303
Coulaud, Esther, Dezanneau, Guilhem, Geneste, Grégory (2015) Hydration, oxidation, and reduction of GdBaCo2O5.5 from first-principles. Journal of Materials Chemistry A, 3. 23917-23929 doi:10.1039/c5ta05388a
Bévillon, Emile, Dezanneau, Guilhem, Geneste, Grégory (2011) Oxygen incorporation in acceptor-doped perovskites. Physical Review B, 83 (17) doi:10.1103/physrevb.83.174101
Hammonds, K. D., Heyes, D. M. (2021) Shadow Hamiltonian in classical NVE molecular dynamics simulations involving Coulomb interactions. The Journal of Chemical Physics, 154 (17) 174102pp. doi:10.1063/5.0048194
Geneste, GrĂ©gory, Hermet, Jessica, Dezanneau, Guilhem (2017) Reply to the ‘Comment on “Proton transport in barium stannate: classical, semi-classical and quantum regime”’. Physical Chemistry Chemical Physics, 19 (31). 21191-21209 doi:10.1039/c7cp02385e
Vauth, Sebastian, Mayr, S. G. (2005) Atomic dynamics in molecular dynamics simulations of glassy CuTi thin films. Applied Physics Letters, 86 (6). 61913pp. doi:10.1063/1.1861982
 
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