Published papers using Modelview
- M. M. Islam, A-G Noumet, F. Wiame, M-P. Bacos, B. Diawara, V. Maurice, P. Marcusa, "Surface reconstruction of TiAl alloys studied by STM and DFT" (accepted in J. Phys. Chem. C)
- B. Diawara, Y-A Beh, P. Marcus, "Nucleation and growth of oxide layers on binary alloys using a virtual oxide layer model" J. Phys. Chem. C, 2010, 114 (45), pp 19299–19307
- M. M. Islam, B. Diawara, V. Maurice, P. Marcus, "Surface reconstruction modes of Cu2O(001) surface: A first principles study" Surf. Sci., 604, (2010) 1516
- A. Bouzoubaa, D. Costa D., B. Diawara, P. Marcus, "Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(1 1 1) surface", Corr. Sci. 52 (2010) 2643.
- B. Diawara, L Joubert, D. Costa, P. Marcus, C. Adamo, "Ammonia on the Ni(111) surface studied by first principles: Bonding, multilayers structure and comparison with experimental IR and XPS data", Surf. Sci. 603 (2009) 3025
- M. M. Islam, B. Diawara, V. Maurice, P. Marcus, " Atomistic Modeling of Voiding Mechanisms at Oxide/Alloy Interfaces ", J. Phys. Chem. C Letts. 113 (2009) 9978
- A. Bouzoubaa, B. Diawara, V. Maurice, C.Minot, P. Marcus, " Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces ", Corrosion Science 51 (2009) 2174
- A. Bouzoubaa, B. Diawara, V. Maurice, C. Minot, P. Marcus, "DFT study of the interaction of chlorides with defect-free hydroxylated NiO surfaces", Corrosion Science 51 (2009) 941
- M. M. Islam, B. Diawara, V. Maurice, P. Marcus, "First principles investigation of the stabilization mechanism of the polar copper terminated Cu2O(111) surface", Surf. Sci.,603 (2009) 2087
- M. M. Islam, B. Diawara, V. Maurice, P. Marcus, "Bulk and surface properties of Cu2O", J. Mol. Structure: THEOCHEM 903(2009) 41.
- C. Arrouvel, B. Diawara, D. Costa, P. Marcus, "Ab initio study of the adsorption of glycine on anhydrous and hydroxylated (0001) -alumina", J. Phys. Chem. C, 49 (2007), 18164
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