• Article dans une revue

The synergistic power of theory and experiment in the field of catalysis

Frederik Tielens, Monica Calatayud

Potential energy curves, equilibrium interatomic distances, term energies and harmonic vibration frequencies for the 16 lowest states of neutral carbon monoxide and the six lowest states of singly ionized carbon monoxide are calculated by density functional theory (DFT) and linear-response time…

Catalysis Today, 2011, 177, pp.1-2. ⟨10.1016/j.cattod.2011.08.026⟩. ⟨hal-00669713⟩

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A combined EXAFS and DFT study of the Ni2+ environment in dehydrated Ni/NaX

Hazar Guesmi, Pascale Massiani

The location of the divalent nickel cation exchanged in low amount in dehydrated NaX is identified by a combination of experimental (XAS) and theoretical (DFT) approaches. The Ni-O and Ni-T distances as well as the coordination numbers evaluated from experiments are in good agreement with the…

Catalysis Today, 2011, 177, pp.25-30. ⟨10.1016/j.cattod.2011.04.047⟩. ⟨hal-00667400⟩

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Development of a novel multiphysical approach for the characterization of mechanical properties of musculotendinous tissues

Malek Kammoun, Redouane Ternifi, Vincent Dupres, Philippe Pouletaut, Sandra Même, William Même, Frederic Szeremeta, Jessem Landoulsi, Jean-Marc Constans, Frank Lafont, Malayannan Subramaniam, John R. Hawse, Sabine Bensamoun

At present, there is a lack of well-validated protocols that allow for the analysis of the mechanical properties of muscle and tendon tissues. Further, there are no reports regarding characterization of mouse skeletal muscle and tendon mechanical properties in vivo using elastography thereby…

Scientific Reports, 2019, 9 (1), ⟨10.1038/s41598-019-44053-1⟩. ⟨hal-02139512⟩

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From Al2O3-supported Ni(II)-ethylenediamine complexes to CO hydrogenation catalysts: Characterization of the surface sites and catalytic properties

Eric Marceau, Axel Löfberg, Jean-Marc Giraudon, Fabien Négrier, Michel Che, Lucien Leclercq

Applied Catalysis A: General, 2009, 362, pp.34-39. ⟨10.1016/j.apcata.2009.04.029⟩. ⟨hal-00412330⟩

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Evolution of nickel speciation from aqueous solution to the surface of Ni/SiO2: effect of the number of chelating ligands in [Ni(en)x(H2O)6-2x]2+

Michel Che, Eric Marceau, Ke Qiang Sun

The evolution of nickel speciation during the successive preparation steps of Ni–SiO2 catalysts is studied by UV-Vis-NIR, FT-IR, DTG, TPR and TEM. The study focuses on the effect of the number of chelating ligands in the precursor complexes [Ni(en)x(H2O)(6 2x)]2+ (en = ethylenediamine, x = 1, 2, 3)…

Physical Chemistry Chemical Physics, 2006, 8, pp.1731-1738. ⟨10.1039/b513319j⟩. ⟨hal-00109406⟩

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Evidence for emission and transfer of energy from excited edge sites of MgO smokes by photoluminescence experiments.

Romain Hacquart, Jean-Marc Krafft, Guylène Costentin, Jacques Jupille

New features are observed in photoluminescence spectra of MgO smokes produced in controlled conditions, an experiment inspired by previous measurements on cleaved MgO(100). Upon photoexcitation at 5.17–5.45 eV, most luminescence spectra observed can be decomposed into two bands, peaking at 3.82–3…

Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2005, 595, pp.172-182. ⟨10.1016/j.susc.2005.08.009⟩. ⟨hal-00112145⟩

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Mesoporous materials from zeolite seeds as supports for nickel-tungsten sulfide active phases: Part 2. Catalytic properties for deep hydrodesulfurization reactions

Juliette Blanchard, Shuangqin Zeng, Michèle Breysse, Yahua Shib, Xintian Su, Hong Nie, Dadong Li

The properties of nickel-tungsten sulfide supported on MCM-41 aluminosilicate materials assembled from beta-zeolite seeds ([beta]-MCM-41) were examined in the conversion of 4,6-dimethyldibenzothiophene (4,6-DMDBT) pure or in mixture with dimethyldisulfide, carbazole and tetralin. As reported in the…

Applied Catalysis A: General, 2006, 298, pp.88-93. ⟨10.1016/j.apcata.2005.09.026⟩. ⟨hal-00080292⟩

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Zirconium-Substituted Isopolytungstates: Structural Models for Zirconia-Supported Tungsten Catalysts

Hugo Carabineiro, Richard Villanneau, Xavier Carrier, Patrick Herson, Francisco Lemos, Fernando Ramôa Ribeiro, Anna Proust, Michel Che

The synthesis and characterization of a series of mixed W-Zr polynuclear Lindqvist-type complexes, deriving from hexatungstate [W6O19]2-, are described in this work. This family of compounds is built from {W5O18Zr}2- moieties as shown by the X-ray structures of the monomeric [W5O18Zr(H2O)3-n(DMSO)n…

Inorganic Chemistry, 2006, 45, pp.1915-1923. ⟨10.1021/ic051941l⟩. ⟨hal-00084005⟩

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Ordered Mesoporous Silica Monoliths as a Versatile Platform for the Study of Magnetic and Photomagnetic Prussian Blue Analogue Nanoparticles

Robinson Moulin, Emilie Delahaye, Amélie Bordage, Emiliano Fonda, Jean-Pierre Baltaze, Patricia Beaunier, Eric Rivière, Giulia Fornasieri, Anne Bleuzen

European Journal of Inorganic Chemistry, 2017, 2017 (10), pp.1302 - 1302. ⟨10.1002/ejic.201700162⟩. ⟨hal-01547249⟩

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Adsorption of Amino Acids and Peptides on Metal and Oxide Surfaces in Water Environment: A Synthetic and Prospective Review

D. Costa, L. Savio, Claire-Marie Pradier

Amino acids and peptides are often used as “model” segments of proteins for studying their behavior in various types of environments, and/or elaborating functional surfaces. Indeed, though the protein behavior is much more complex than that of their isolated segments, knowledge of the binding mode…

Journal of Physical Chemistry B, 2016, 120 (29), pp.7039 - 7052. ⟨10.1021/acs.jpcb.6b05954⟩. ⟨hal-01548333⟩