Boubakar Diawara

Reactive Molecular Dynamics of the Initial Oxidation Stages of Ni(111) in Pure Water: Effect of an Applied Electric Field

Omar Assowe, O. Politano, V. Vignal et al. · The Journal of Physical Chemistry A · 2012 · 104 citations

Engineering, Initial Oxidation Stages, Reactive Force Field +20

Structural, Magnetic, Electronic, Defect, and Diffusion Properties of Cr₂O₃: A DFT+<i>U</i> Study

François Lebreau, Mazharul M. Islam, Boubakar Diawara et al. · The Journal of Physical Chemistry C · 2014 · 95 citations

Engineering, Diffusion Properties, Electronic Properties +18

Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces

Asmae Bouzoubaa, Boubakar Diawara, Vincent Maurice et al. · Corrosion Science · 2009 · 86 citations

Materials Science, Corrosion Protection, Engineering +11

Bulk and surface properties of Cu2O: A first-principles investigation

Mazharul M. Islam, Boubakar Diawara, Vincent Maurice et al. · Journal of Molecular Structure THEOCHEM · 2009 · 80 citations

Materials Science, Surface Characterization, Copper Oxide Materials +6

Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface

Asmae Bouzoubaa, Dominique Costa, Boubakar Diawara et al. · Corrosion Science · 2010 · 75 citations

Engineering, Surface Chemistry, Surface Science +10