Molecular dynamics simulations of oxygen diffusion in GdBaCo2O5. 5 J Hermet, G Geneste, G Dezanneau Applied Physics Letters 97 (17), 2010 | 60 | 2010 |
Oxygen diffusion mechanism in the mixed ion-electron conductor NdBaCo 2 O 5+ x Y Hu, O Hernandez, T Broux, M Bahout, J Hermet, A Ottochian, C Ritter, ... Journal of Materials Chemistry 22 (36), 18744-18747, 2012 | 54 | 2012 |
Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations J Hermet, F Bottin, G Dezanneau, G Geneste Physical review B 85 (20), 205137, 2012 | 49 | 2012 |
Hydrogen diffusion in the protonic conductor BaCe 1− x Gd x O 3− x 2 from density functional theory J Hermet, M Torrent, F Bottin, G Dezanneau, G Geneste Physical Review B 87 (10), 104303, 2013 | 48* | 2013 |
How dopant size influences the protonic energy landscape in BaSn 1− x M x O 3− x/2 (M= Ga, Sc, In, Y, Gd, La) É Bévillon, J Hermet, G Dezanneau, G Geneste Journal of Materials Chemistry A 2 (2), 460-471, 2014 | 32 | 2014 |
Effects of biaxial strain on bulk 8% yttria-stabilised zirconia ion conduction through molecular dynamics G Dezanneau, J Hermet, B Dupé international journal of hydrogen energy 37 (9), 8081-8086, 2012 | 32 | 2012 |
Modeling proton transfer in imidazole-like dimers: A density functional theory study GF Mangiatordi, J Hermet, C Adamo The Journal of Physical Chemistry A 115 (12), 2627-2634, 2011 | 32 | 2011 |
Simulations of REBaCo2O5. 5 (REGd, La, Y) cathode materials through energy minimisation and molecular dynamics J Hermet, B Dupé, G Dezanneau Solid State Ionics 216, 50-53, 2012 | 30 | 2012 |
Oxide ion and proton transport in Gd-doped barium cerate: a combined first-principles and kinetic Monte Carlo study J Hermet, M Torrent, F Bottin, G Dezanneau, G Geneste Journal of Materials Chemistry A 2 (24), 9055-9066, 2014 | 18 | 2014 |
Kinetic Monte Carlo study of protonic diffusion and conduction in Gd-doped BaCeO3 J Hermet, F Bottin, G Dezanneau, G Geneste Solid State Ionics 252, 48-55, 2013 | 14 | 2013 |
Proton transport in barium stannate: classical, semi-classical and quantum regimes G Geneste, A Ottochian, J Hermet, G Dezanneau Physical Chemistry Chemical Physics 17 (29), 19104-19118, 2015 | 10 | 2015 |
New range-separated hybrids based on the TCA density functional J Hermet, P Cortona, C Adamo Chemical Physics Letters 519, 145-149, 2012 | 9 | 2012 |
Growth of quantum paraelectric La1/2Na1/2TiO3 single crystals using optical floating zone technique R Haumont, R Saint-Martin, J Chaigneau, M Devant, J Hermet, BN Sekhar, ... Journal of crystal growth 321 (1), 36-39, 2011 | 5 | 2011 |
Theoretical study of protonic conduction in Gd-doped BaCeO3: an electrolyte for fuel cell J Hermet Ecole Centrale Paris, 2013 | 3 | 2013 |
Towards a greater accuracy in dft calculations: From gga to hybrid functionals J Hermet, C Adamo, P Cortona Quantum Simulations of Materials and Biological Systems, 3-15, 2012 | 3 | 2012 |
Reply to the ĄComment on “Proton transport in barium stannate: classical, semi-classical and quantum regime”˘ G Geneste, J Hermet, G Dezanneau Physical Chemistry Chemical Physics 19 (31), 21191-21209, 2017 | 2 | 2017 |
Quantum Simulations of Materials and Biological Systems J Hermet, C Adamo, P Cortona, J Zeng, RQ Zhang, HR Treutlein Springer Netherlands, 2012 | 2 | 2012 |
Protonic conduction in an electrolyte for fuel cell: Gd-doped BaCeO3 J Hermet Ecole Centrale Paris, 2013 | 1 | 2013 |
Quantum effects in proton-conducting oxides: an exhaustive study in barium stannate G Geneste, A Ottochian, J Hermet, G Dezanneau arXiv preprint arXiv:1411.3207, 2014 | | 2014 |
Conduction protonique au sein d'un électrolyte pour pile à combustible: BaCeO3 dopé Gd J Hermet Châtenay-Malabry, Ecole centrale de Paris, 2013 | | 2013 |