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Study of the evolution of bimetallic surfaces during CO oxidation bynear-ambient pressure XPS

M.A Languille , E. Ehret , Y. Jugnet , Celine Dupont , B.S Mun et al.
TAILOR2012, Mar 2012, Autrans, France
Conference papers hal-00738361v1

Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV-Vis Signatures of Three-Electron Two-Center Anions

Céline Dupont , Elise Dumont , Denis Jacquemin
Journal of Physical Chemistry A, 2012, 116 (12), pp.3237-3246. ⟨10.1021/jp211875r⟩
Journal articles hal-00865317v1

What Singles Out the G[8-5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations

C. Patel , Julian Garrec , Celine Dupont , E. Dumont
Biochemistry, 2013, 52 (2), pp.425-431. ⟨10.1021/bi301198h⟩
Journal articles hal-00828536v1

Restructuring of the Pt3Sn(111) surfaces induced by atomic and molecular oxygen from first principles

Celine Dupont , Y. Jugnet , F. Delbecq , D. Loffreda
Journal of Chemical Physics, 2009, 130, pp.12471. ⟨10.1063/1.3096986⟩
Journal articles hal-00866552v1

Vibrational Study of CO Chemisorption on the Pt3Sn(111)-(2 x 2) Surface

Celine Dupont , D. Loffreda , F. Delbecq , Y. Jugnet
Journal of Physical Chemistry C, 2007, 111, pp.8524-8531. ⟨10.1021/jp070333j⟩
Journal articles istex hal-00160817v1

The nature of the Pt(111)/α-Fe 2 O 3 (0001) interfaces revealed by DFT calculations

Agnes Mahmoud , Pierre-Marie Deleuze , Céline Dupont
Journal of Chemical Physics, 2018, 148 (20), pp.204701. ⟨10.1063/1.5033366⟩
Journal articles hal-02348637v1
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Deep HDS of FCC gasoline over alumina supported CoMoS catalyst: Inhibiting effects of carbon monoxide and water

Florian Pelardy , Antoine Daudin , Elodie Devers , Céline Dupont , Pascal Raybaud et al.
Applied Catalysis B: Environmental, 2016, 183, pp.317-327. ⟨10.1016/j.apcatb.2015.10.026⟩
Journal articles hal-01266599v1

Improved DFT Description of Intrastrand Cross-Link Formation by Inclusion of London Dispersion Corrections

Céline Dupont , Chandan Patel , Elise Dumont
Journal of Physical Chemistry B, 2011, 115 (50), pp.15138-15144. ⟨10.1021/jp209074q⟩
Journal articles hal-01115361v1

Theoretical evidence of PtSn alloy efficiency for CO oxidation

Celine Dupont , Y. Jugnet , D. Loffreda
ICTAC, 11th International Conference ofn theoretical aspects of Catalysis, 2006, Schmochwitz-Berlin, Germany. pp.11-14 juin
Conference papers hal-00101881v1
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Ferroelectric polarization switching induced from water adsorption in BaTiO 3 ultrathin films

Pierre-Marie Deleuze , Bruno Domenichini , Céline Dupont
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, 101, pp.075410. ⟨10.1103/PhysRevB.101.075410⟩
Journal articles hal-03022489v1

Preferential CO oxidation in a large excess of hydrogen on Pt3Sn surfaces

Celine Dupont , F. Delbecq , D. Loffreda , Y. Jugnet
Journal of Catalysis, 2011, 278, pp.239-245. ⟨10.1016/j.jcat.2010.12.012⟩
Journal articles hal-00602750v1

Recent Advances in PROX: Vibrational Characterization and Reactivity on the Pt3Sn(111) Surface

Celine Dupont , Y. Jugnet , F. Delbecq , D. Loffreda
Chir@Surf CECAM Workshop, Chirality and molecular recognition at surfaces, 2007, Lyon, France. pp.1-3 octobre 2007
Conference papers hal-00196811v1

Mediatory role of tin in the catalytic performance of tailored platinum-tin alloy surfaces for carbon monoxide oxidation

Celine Dupont , Y. Jugnet , F. Delbecq , D. Loffreda
Journal of Catalysis, 2010, 273 (2), pp.211-220. ⟨10.1016/j.jcat.2010.05.014⟩
Journal articles hal-00512083v1

Promoter Effect of Early Stage Grown Surface Oxides: A Near-Ambient-Pressure XPS Study of CO Oxidation on PtSn Bimetallics

Y. Jugnet , D. Loffreda , Celine Dupont , F. Delbecq , E. Ehret et al.
Journal of Physical Chemistry Letters, 2012, 3, pp.3707-3714. ⟨10.1021/jz301802g⟩
Journal articles hal-00797944v1
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Structure of TiO 2 (011) revealed by photoelectron diffraction

Céline Dupont , S. Bourgeois , P. Le Fèvre , A. Verdini , L Floreano et al.
Physical Review B, 2016, 94 (24), ⟨10.1103/PhysRevB.94.241304⟩
Journal articles hal-03032735v1

Theoretical evidence of Pt3 Sn(111) efficiency for fuel cells

Celine Dupont , Y. Jugnet , F. Delbecq , D. Loffreda
12th International Conference on Theoretical Aspects of Catalysis, 2008, Varna, Bulgaria
Conference papers hal-00308646v1
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Enhancing alpha-Fe2O3(0 0 0 1) surfaces reactivity through lattice-strain control

Agnes Mahmoud , Céline Dupont
Applied Surface Science, 2020, 534, pp.147605. ⟨10.1016/j.apsusc.2020.147605⟩
Journal articles hal-03020183v1

Theoretical evidence of PtSn alloy efficiency for CO oxidation

Celine Dupont , Y. Jugnet , D. Loffreda
Journal of the American Chemical Society, 2006, 128, pp.9129-9136. ⟨10.1021/ja061303h⟩
Journal articles istex hal-00101655v1

Study of Bimetallic Surfaces by Near Ambient Pressure X-ray Photoelectron Spectroscopy during CO Oxidation. [+ affiche]

M. A. Languille , E. Ehret , Y. Jugnet , B. S. Mun , H. Bluhm et al.
XIth European Congress on Catalysis, EuropaCat XI, Sep 2013, Lyon, France
Conference papers hal-00930483v1

Towards first-principles electrochemistry

Nicola Marzari , Oliviero Andreussi , Ismaila Dabo , Celine Dupont , N. Bonnet et al.
Abstracts of Papers of the American Chemical Society, 2013, 245, pp.272-ENFL
Journal articles hal-00964519v1
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The nature of the Pt(111)/α-Fe 2 O 3 (0001) interfaces revealed by first-principles

Agnes Mahmoud , Pierre-Marie Deleuze , Céline Dupont
Journal of Chemical Physics, 2018, 148, pp.204701. ⟨10.1063/1.5033366⟩
Journal articles hal-03032731v1

A High Pressure PM-IRRAS Study of CO and O2 Coadsorption and Reactivity on PtSn Alloy Surfaces

Celine Dupont , D. Loffreda , F. Delbecq , F. J. Cadete Santos Aires , E. Ehret et al.
Journal of Physical Chemistry C, 2008, 112, pp.10862-10867. ⟨10.1021/jp802416f⟩
Journal articles istex hal-00254950v1

Theoretical evidence of PtSn alloy efficiency for CO oxidation

Celine Dupont , Y. Jugnet , D. Loffreda
ICTAC, 11th International Conference on theoretical aspects of Catalysis, 2006, Berlin, Germany
Conference papers hal-00142122v1
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Theoretical investigation of the platinum substrate influence on BaTiO 3 thin films polarisation

Pierre-Marie Deleuze , Agnes Mahmoud , Bruno Domenichini , Céline Dupont
Physical Chemistry Chemical Physics, 2019, 21, pp.4367-4374. ⟨10.1039/C8CP07022A⟩
Journal articles hal-03032729v1

Deoxygenation mechanisms on Ni-promoted MoS2 bulk catalysts: A combined experimental and theoretical study

M. R. de Brimont , Celine Dupont , A. Daudin , C. Geantet , Pascal Raybaud et al.
Journal of Catalysis, 2012, 286, pp.153-164. ⟨10.1016/j.jcat.2011.10.022⟩
Journal articles hal-00700172v1

Addressing the competitive formation of tandem DNA lesions by a nucleobase peroxyl Q1 radical: a DFT-D screening

Celine Dupont , C. Patel , J.-L. Ravanat , E. Dumont
Organic & Biomolecular Chemistry, 2013, 11, pp.3038-3045. ⟨10.1039/c3ob40280k⟩
Journal articles hal-00828318v1

CO chemisorption on Pt3Sn(111)-p(2x2): a combined HREELS and DFT study

Celine Dupont , D. Loffreda , Y. Jugnet
24th European Conference on Solid Surfaces, ECOSS 24, 2006, Paris, France. 4-8 septembre
Conference papers hal-00101899v1
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Nature of the Ba $4d$ Splitting in BaTiO$_3$ unraveled by a combined experimental and theoretical study

Pierre-Marie Deleuze , Hélène Magnan , Antoine Barbier , Zheshen Li , Alberto Verdini et al.
Journal of Physical Chemistry C, 2022, 126 (37), pp.15899-15906. ⟨10.1021/acs.jpcc.2c02510⟩
Journal articles hal-03795651v1
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Unraveling the Surface Reactivity of Pristine and Ti Doped Hematite with Water

Pierre-Marie Deleuze , Héléne Magnan , Antoine Barbier , Mathieu Silly , Bruno Domenichini et al.
Journal of Physical Chemistry Letters, 2021, pp.11520-11527. ⟨10.1021/acs.jpclett.1c03029⟩
Journal articles hal-03454677v1
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Substitution of Titanium for Magnesium Ions at the Surface of Mg-Doped Rutile

Céline Dupont , Jacques Jupille , Sylvie Bourgeois , Patrick Le Fèvre , Alberto Verdini et al.
Journal of Physical Chemistry C, 2020, 124 (21), pp.11490-11498. ⟨10.1021/acs.jpcc.0c02321⟩
Journal articles hal-03022479v1