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Boubakar Diawara

Structural, Magnetic, Electronic, Defect, and Diffusion Properties of Cr2O3: A DFT+U Study
2014 · François Lebreau, Mazharul M. Islam, et al. · The Journal of Physical Chemistry C · 110
Reactive Molecular Dynamics of the Initial Oxidation Stages of Ni(111) in Pure Water: Effect of an Applied Electric Field
2012 · O. Assowe, O. Politano, et al. · The Journal of Physical Chemistry A · 107
Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces
2009 · Asmae Bouzoubaa, Boubakar Diawara, et al. · Corrosion Science · 89
Bulk and surface properties of Cu2O: A first-principles investigation
2009 · Mazharul M. Islam, Boubakar Diawara, et al. · Journal of Molecular Structure THEOCHEM · 84
Insight of DFT and atomistic thermodynamics on the adsorption and insertion of halides onto the hydroxylated NiO(111) surface
2010 · A. Bouzoubaa, D. Costa, et al. · Corrosion Science · 79
Ab initio study of the interaction of chlorides with defect-free hydroxylated NiO surfaces
2009 · Asmae Bouzoubaa, Boubakar Diawara, et al. · Corrosion Science · 73
Oxide Film Growth Kinetics on Metals and Alloys
2013 · Kirsten Leistner, Charles Toulemonde, et al. · Journal of The Electrochemical Society · 63
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Nucleation and Growth of Oxide Layers on Stainless Steels (FeCr) Using a Virtual Oxide Layer Model
2010 · Boubakar Diawara, Yves-Alain Beh, et al. · The Journal of Physical Chemistry C · 54
DFT Periodic Study of the Adsorption of Glycine on the Anhydrous and Hydroxylated (0001) Surfaces of α-Alumina
2007 · Corinne Arrouvel, Boubakar Diawara, et al. · The Journal of Physical Chemistry C · 54
First principles investigation on the stabilization mechanisms of the polar copper terminated Cu2O(111) surface
2009 · Mazharul M. Islam, Boubakar Diawara, et al. · Surface Science · 52
Biomolecule−Biomaterial Interaction: A DFT-D Study of Glycine Adsorption and Self-Assembly on Hydroxylated Cr2O3 Surfaces
2011 · D. Costa, P.-A. Garrain, et al. · Langmuir · 51
Atomistic Insights on Enhanced Passivity: Dft Study of Substitutional Mo on Cr2o3 and Fe2o3 Surfaces
2023 · Xian Huang, Dominique Costa, et al. · Corrosion Science · 46
Effects of surface orientations of Cr2O3 on CO2 adsorption: A DFT approach
2020 · Anand Kumar, Francois Ropital, et al. · Applied Surface Science · 44
Three-dimensional modelling of selective dissolution and passivation of iron–chromium alloys
2002 · M. Legrand, B. Diawara, et al. · Corrosion Science · 42
Dependence of pressure on elastic, electronic and optical properties of CeO2 and ThO2: A first principles study
2011 · A. Boudjemline, L. Louail, et al. · Computational Materials Science · 41
Synergy between iono-covalent bonds and van der Waals interactions in SAMs formation: A first-principles study of adsorption of carboxylic acids on the Zn–ZnO(0001) surface
2011 · M.M. Islam, B. Diawara, et al. · Catalysis Today · 39
Electronic and optical properties of BAs under pressure
2011 · A. Boudjemline, Mazharul M. Islam, et al. · Physica B Condensed Matter · 33
Ammonia on Ni(111) surface studied by first principles: Bonding, multilayers structure and comparison with experimental IR and XPS data
2009 · Boubakar Diawara, Laurent Joubert, et al. · Surface Science · 31
Characterization of NTCDI supra-molecular networks on Au(111); combining STM, IR and DFT calculations
2014 · Mahamadou Seydou, Joan Teyssandier, et al. · RSC Advances · 27
Elaboration of Hydrogen-Bonded 2D Supramolecular Assemblies on Au(111) From Solutions: Toward Naphthalene Tetracarboxylic Diimide–Melamine Nanoporous Networks
2013 · J. Teyssandier, N. Battaglini, et al. · The Journal of Physical Chemistry C · 26
A DFT-D study of hydrogen adsorption on functionalized graphene
2015 · Mahamadou Seydou, Karima Lassoued, et al. · RSC Advances · 24
Surface reconstruction modes of Cu2O(001) surface: A first principles study
2010 · Mazharul M. Islam, Boubakar Diawara, et al. · Surface Science · 21
Atomistic Modeling of Voiding Mechanisms at Oxide/Alloy Interfaces
2009 · Mazharul M. Islam, Boubakar Diawara, et al. · The Journal of Physical Chemistry C · 21
New insights in self-assembled monolayer of imidazolines on iron oxide investigated by DFT
2018 · Aurélie Gouron, Katell Le Mapihan, et al. · Applied Surface Science · 20
Asphalt Study by Neuronal Networks. Correlation between Chemical and Rheological Properties
1997 · Laurent Michon, Bernard Hanquet, et al. · Energy & Fuels · 20
Works count: 60
Citation count: 1,456
H-index: 21
I10-index: 35
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