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Electrochemical, Surface-Analytical, and Computational DFT Study of Alkaline Etched Aluminum Modified by Carboxylic Acids for Corrosion Protection and Hydrophobicity

I. Milošev , T. Bakarič , S. Zanna , A. Seyeux , P. Rodič , et al.
Journal of The Electrochemical Society, 2019, 166 (11), pp.C3131-C3146. ⟨10.1149/2.0181911jes⟩
Article dans une revue hal-03095045v1

Leucine on Silica: A Combined Experimental and Modeling Study of a System Relevant for Origins of Life, and the Role of Water Coadsorption

Hagop Abadian , Pauline Cornette , Dominique Costa , Alberto Mezzetti , Christel Gervais , et al.
Langmuir, 2022, 38 (26), pp.8038-8053. ⟨10.1021/acs.langmuir.2c00841⟩
Article dans une revue hal-03857982v1

DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface

A. Hemeryck , A. Motta , C. Lacaze-Dufaure , Dominique Costa , P. Marcus
Applied Surface Science, 2017, 426, pp.107-115. ⟨10.1016/j.apsusc.2017.07.161⟩
Article dans une revue hal-03095066v1

Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces

Matic Poberžnik , Dominique Costa , Anne Hémeryck , Anton Kokalj
Journal of Physical Chemistry C, 2018, 122 (17), pp.9417-9431. ⟨10.1021/acs.jpcc.7b12552⟩
Article dans une revue hal-03095007v1
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DFT-Based Cu(111)||Cu 2 O(111) Model for Copper Metal Covered by Ultrathin Copper Oxide: Structure, Electronic Properties, and Reactivity

Fatah Chiter , Dominique Costa , Vincent Maurice , Philippe Marcus
Journal of Physical Chemistry C, 2020, 124 (31), pp.17048-17057. ⟨10.1021/acs.jpcc.0c04453⟩
Article dans une revue hal-03094941v1

DFT screening of adsorption of biodiesel molecules on aluminum and stainless steel surfaces

Claudia Cantarelli , Benoît Darenne , Maira Alves Fortunato , Theodorus de Bruin , Dominique Costa
Results in Surfaces and Interfaces, 2022, 6 (1), pp.100050. ⟨10.1016/j.rsurfi.2022.100050⟩
Article dans une revue hal-04272074v1
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Co-binding of pharmaceutical compounds at mineral surfaces: Molecular investigations of dimer formation at goethite/water interfaces

Jing Xu , Remi Marsac , Dominique Costa , Wei Cheng , Feng Wu , et al.
Environmental Science and Technology, 2017, 51 (15), pp.8343-8349. ⟨10.1021/acs.est.7b02835⟩
Article dans une revue insu-01557413v1

In Situ EC-STM Study and DFT Modeling of the Adsorption of Glycerol on Cu(111) in NaOH Solution

Shoshan Abrahami , Fatah Chiter , Lorena Klein , Vincent Maurice , Herman Terryn , et al.
Journal of Physical Chemistry C, 2019, 123 (36), pp.22228-22238. ⟨10.1021/acs.jpcc.9b04856⟩
Article dans une revue hal-03094999v1

DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

Matic Poberžnik , Fatah Chiter , Ingrid Milošev , Philippe Marcus , Dominique Costa , et al.
Applied Surface Science, 2020, 525, pp.146156. ⟨10.1016/j.apsusc.2020.146156⟩
Article dans une revue hal-03094831v1
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DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper

Eléa Vernack , Dominique Costa , Philippe Tingaut , Philippe Marcus
Corrosion Science, 2020, 174, ⟨10.1016/j.corsci.2020.108840⟩
Article dans une revue hal-03453314v1

DFT Study of Cl − Ingress into Organic Self-Assembled Monolayers on Aluminum

Fatah Chiter , Dominique Costa , Matic Poberžnik , Ingrid Milošev , Philippe Marcus , et al.
Journal of The Electrochemical Society, 2023, 170 (7), pp.071504. ⟨10.1149/1945-7111/ace334⟩
Article dans une revue hal-04272031v1

Diaminoethane adsorption and water substitution on hydrated TiO2: a thermochemical study based on first-principles calculations

Anne Hémeryck , Motta Alessandro , Jolanta Swiatowska , Catarina Pereira-Nabais , Philippe Marcus , et al.
Physical Chemistry Chemical Physics, 2013, 15 (26), pp.10824-10834 ⟨10.1039/c3cp44498h⟩
Article dans une revue hal-01496672v1
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DFT investigation of 2-mercaptobenzothiazole adsorption on model oxidized copper surfaces and relationship with corrosion inhibition

Fatah Chiter , Dominique Costa , Vincent Maurice , Philippe Marcus
Applied Surface Science, 2021, 537, ⟨10.1016/j.apsusc.2020.147802⟩
Article dans une revue hal-03453309v1
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The Effects of Perfluoroalkyl and Alkyl Backbone Chains, Spacers, and Anchor Groups on the Performance of Organic Compounds as Corrosion Inhibitors for Aluminum Investigated Using an Integrative Experimental-Modeling Approach

I. Milošev , A. Kokalj , M. Poberžnik , Ch. Carrière , D. Zimerl , et al.
Journal of The Electrochemical Society, 2021, 168 (7), pp.071506. ⟨10.1149/1945-7111/ac0d3d⟩
Article dans une revue hal-03453311v1

Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces

Matic Poberžnik , Dominique Costa , Anne Hémeryck , Anton Kokalj
Journal of Physical Chemistry C, 2018, 122 (17), pp.9417 - 9431. ⟨10.1021/acs.jpcc.7b12552⟩
Article dans une revue hal-01810862v1
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Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Dominique Costa , Claire-Marie Pradier , Frederik Tielens , Letizia Savio
Surface Science Reports, 2015, 70 (4), pp.449-553. ⟨10.1016/j.surfrep.2015.10.002⟩
Article dans une revue hal-01275043v1
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Relation between Surface Composition and Electronic Properties of Native Oxide Films on an Aluminium-Copper Alloy Studied by DFT

P. Cornette , Dominique Costa , P. Marcus
Journal of The Electrochemical Society, 2020, 167 (16), pp.161501. ⟨10.1149/1945-7111/abc9a1⟩
Article dans une revue hal-03095024v1

How Does Collagen Adsorb on Hydroxyapatite? Insights From Ab Initio Simulations on a Polyproline Type II Model

Michele Cutini , Marta Corno , Dominique Costa , Piero Ugliengo
Journal of Physical Chemistry C, 2018, 123 (13), pp.7540-7550. ⟨10.1021/acs.jpcc.7b10013⟩
Article dans une revue hal-02411679v1
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Atomic Scale Insight into Corrosion Inhibition: DFT Study of 2-Mercaptobenzimidazole on Locally De-Passivated Copper Surfaces

Fatah Chiter , Dominique Costa , Vincent Maurice , Philippe Marcus
Journal of The Electrochemical Society, 2021, 168 (12), pp.121507. ⟨10.1149/1945-7111/ac405c⟩
Article dans une revue hal-03511887v1
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Adsorption of 2-mercaptobenzimidazole Corrosion Inhibitor on Copper: DFT Study on Model Oxidized Interfaces

Fatah Chiter , Dominique Costa , Vincent Maurice , Philippe Marcus
Journal of The Electrochemical Society, 2020, 167 (16), pp.161506. ⟨10.1149/1945-7111/abcd4f⟩
Article dans une revue hal-03044028v1
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ToF-SIMS, XPS and DFT Study of the Adsorption of 2-mercaptobenzothiazole on Copper in Neutral Aqueous Solution and Corrosion Protection in Chloride Solution

Eléa Vernack , Sandrine Zanna , Antoine Seyeux , Dominique Costa , Fatah Chiter , et al.
Corrosion Science, 2022, pp.110854. ⟨10.1016/j.corsci.2022.110854⟩
Article dans une revue hal-03865168v1

DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper

Eléa Vernack , Dominique Costa , Philippe Tingaut , Philippe Marcus
Corrosion Science, 2020, 174, pp.108840. ⟨10.1016/j.corsci.2020.108840⟩
Article dans une revue hal-03094923v1
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Model Study of Penetration of Cl− Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Anton ; Kokalj , Dominique Costa
Journal of The Electrochemical Society, 2021, 168, ⟨10.1149/1945-7111/ac0a24⟩
Article dans une revue hal-03453307v1
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Chemical interaction, self-ordering and corrosion inhibition properties of 2-mercaptobenzothiazole monolayers: DFT atomistic modelling on metallic copper

Fatah Chiter , Dominique Costa , Vincent Maurice , Philippe Marcus
Corrosion Science, 2022, 209, pp.110658. ⟨10.1016/j.corsci.2022.110658⟩
Article dans une revue hal-03792825v1
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Insight at the atomic scale of corrosion inhibition: DFT study of 8-hydroxyquinoline on oxidized aluminum surfaces

Fatah Chiter , Dominique Costa , Nadine Pébère , Philippe Marcus , Corinne Lacaze-Dufaure
Physical Chemistry Chemical Physics, 2023, 25 (5), pp.4284-4296. ⟨10.1039/D2CP04626A⟩
Article dans une revue hal-04272054v1

Adsorption of phenyl phosphate on Ni-Cr alloy surface: Experimental and theoretical investigations

M. Naffati , S. Zanna , P. Cornette , Dominique Costa , P. Marcus , et al.
Phosphorus, Sulfur, and Silicon and the Related Elements, 2017, 193 (3), pp.185-191. ⟨10.1080/10426507.2017.1395877⟩
Article dans une revue hal-02411676v1
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Revisiting carbenium chemistry on amorphous silica-alumina: Unraveling their milder acidity as compared to zeolites

Fabien Leydier , Céline Chizallet , Dominique Costa , Pascal Raybaud
Journal of Catalysis, 2015, 325, pp.35-47. ⟨10.10.1016/j.jcat.2015.02.012⟩
Article dans une revue hal-01176479v1

Bimodal Acidity at the Amorphous Silica/Water Interface

Morgane Pfeiffer-Laplaud , Dominique Costa , Frederik Tielens , Marie-Pierre Gaigeot , Marialore Sulpizi
Journal of Physical Chemistry C, 2015, 119 (49), pp.27354-27362. ⟨10.1021/acs.jpcc.5b02854⟩
Article dans une revue hal-01275046v1

Theoretical study of the Pb adsorption on Ni, Cr, Fe surfaces and on Ni based alloys

Marie-Laure Bonnet , Dominique Costa , Elie Protopopoff , Philippe Marcus
Applied Surface Science, 2017, 426, pp.788-795. ⟨10.1016/j.apsusc.2017.07.176⟩
Article dans une revue hal-03095019v1
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The native oxide film on a model aluminium-copper alloy studied by XPS and ToF-SIMS

P. Cornette , S. Zanna , A. Seyeux , Dominique Costa , P. Marcus
Corrosion Science, 2020, 174, pp.108837. ⟨10.1016/j.corsci.2020.108837⟩
Article dans une revue hal-03095030v1