English (United Kingdom)
Institut de recherche de Chimie de Paris
Équipe : "interfaces, électrochimie et énergie"

Published papers using Modelview

  1. 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)
  2. 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
  3. 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
  4. 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.
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. M. M. Islam, B. Diawara, V. Maurice, P. Marcus, "Bulk and surface properties of Cu2O", J. Mol. Structure: THEOCHEM 903(2009) 41.
  11. 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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