Characterization of NTCDI supra-molecular networks on Au(111); combining STM, IR and DFT calculations
Seydou, Mahamadou, Teyssandier, Joan, Battaglini, Nicolas, Kenfack, Ghislain Tsague, Lang, Philippe, Tielens, Frederik, Maurel, François, Diawara, Boubakar
Published in RSC advances (01.01.2014)
Published in RSC advances (01.01.2014)
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Journal Article
Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces
Huang, Xian, Costa, Dominique, Diawara, Boubakar, Maurice, Vincent, Marcus, Philippe
Published in Corrosion science (01.11.2023)
Published in Corrosion science (01.11.2023)
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Journal Article
Effects of surface orientations of Cr2O3 on CO2 adsorption: A DFT approach
Kumar, Anand, Ropital, Francois, de Bruin, Theodorus, Diawara, Boubakar
Published in Applied surface science (01.11.2020)
Published in Applied surface science (01.11.2020)
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Journal Article
DFT study on Mo-stabilized passive films: Hydroxylation effects on chromium and iron oxide surfaces
Huang, Xian, Costa, Dominique, Diawara, Boubakar, Maurice, Vincent, Marcus, Philippe
Published in Corrosion science (01.06.2024)
Published in Corrosion science (01.06.2024)
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Journal Article
First-principles investigation of methanethiol adsorption and dissociation mechanisms on the high-Miller-index vicinal surface Cu(4 1 0)
Raouafi, Faycal, Seydou, Mahamadou, Lassoued, Karima, Taleb, Abdelhafed, Diawara, Boubakar
Published in Journal of physics. Condensed matter (05.05.2016)
Published in Journal of physics. Condensed matter (05.05.2016)
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Journal Article
Mechanistic insights to CO2 adsorption and activation on hydroxylated chromia (0001) surface
Kumar, Anand, Ropital, François, de Bruin, Theodorus, Diawara, Boubakar
Published in Materials today communications (01.03.2024)
Published in Materials today communications (01.03.2024)
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Journal Article
Nucleation and Growth of Oxide Layers on Stainless Steels (FeCr) Using a Virtual Oxide Layer Model
Diawara, Boubakar, Beh, Yves-Alain, Marcus, Philippe
Published in Journal of physical chemistry. C (18.11.2010)
Published in Journal of physical chemistry. C (18.11.2010)
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Journal Article
New insights in self-assembled monolayer of imidazolines on iron oxide investigated by DFT
Gouron, Aurélie, Le Mapihan, Katell, Camperos, Sheyla, Al Farra, Ahmad, Lair, Virginie, Ringuedé, Armelle, Cassir, Michel, Diawara, Boubakar
Published in Applied surface science (31.10.2018)
Published in Applied surface science (31.10.2018)
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Journal Article
Ab initio study of the interaction of chlorides with defect-free hydroxylated NiO surfaces
Bouzoubaa, Asmae, Diawara, Boubakar, Maurice, Vincent, Minot, Christian, Marcus, Philippe
Published in Corrosion science (01.04.2009)
Published in Corrosion science (01.04.2009)
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Journal Article
Multi-Scale Modeling of the Initial Stages of Anodic Oxidation of Titanium
Stancheva, Mina, Diawara, Boubakar, Lebreau, François, Bojinov, Martin
Published in Journal of the Electrochemical Society (01.01.2014)
Published in Journal of the Electrochemical Society (01.01.2014)
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Journal Article
A Computational Exploration of Ammonia Adsorption on the Kaolinite Clay Surface
Diawara, Moussa, Kamissoko, Mady, Rahali, Seyfeddine, Samaké, Drissa, Tamboura, Moussa, Diawara, Boubakar, Seydou, Mahamadou
Published in Chemistry Africa (01.12.2021)
Published in Chemistry Africa (01.12.2021)
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Journal Article
Ab initio modelling of localized corrosion: Study of the role of surface steps in the interaction of chlorides with passivated nickel surfaces
Bouzoubaa, Asmae, Diawara, Boubakar, Maurice, Vincent, Minot, Christian, Marcus, Philippe
Published in Corrosion science (01.09.2009)
Published in Corrosion science (01.09.2009)
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Journal Article
DFT study of the adsorption and dissociation of 5-hydroxy-3-butanedithiol-1,4-naphthaquinone (Jug-C4-thiol) on Au(111) surface
Lassoued, Karima, Seydou, Mahamadou, Raouafi, Fayçal, Larbi, Fadhel, Lang, Philippe, Diawara, Boubakar
Published in Adsorption : journal of the International Adsorption Society (01.02.2018)
Published in Adsorption : journal of the International Adsorption Society (01.02.2018)
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Journal Article
A DFT-D study of hydrogen adsorption on functionalized graphene
Seydou, Mahamadou, Lassoued, Karima, Tielens, Frederik, Maurel, François, Raouafi, Faycal, Diawara, Boubakar
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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Journal Article