Laboratoire de réactivité de surface

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  • Article dans une revue

Conversion of syngas-derived C 2 + mixed oxygenates to C 3 –C 5 olefins over Zn x Zr y O z mixed oxide catalysts

Colin Smith, Vanessa Lebarbier Dagle, Matthew Flake, Karthikeyan K. Ramasamy, Libor Kovarik, Mark Bowden, Thomas Onfroy, Robert A. Dagle

In this study we report on a ZnxZryOz mixed oxide type catalyst capable of converting a syngas-derived C2+ mixed oxygenate feedstock to isobutene-rich olefins. Aqueous model feed comprising of ethanol, acetaldehyde, acetic acid, ethyl acetate, methanol, and propanol was used as representative…

Catalysis Science & Technology, 2015, 6 (7), pp.2325 - 2336. ⟨10.1039/C5CY01261A⟩. ⟨hal-01547866⟩

  • Article dans une revue

Self-Assembly of (S)-Glutamic Acid on Ag(100): A Combined LT-STM and Ab Initio Investigation

M. Smerieri, L. Vattuone, Dominique Costa, Frederik Tielens, L. Savio

Self-assembly of org. mols. at metal surfaces is of greatest importance in nanoscience; in fact, it opens new perspectives in the field of mol. electronics and in the study of biocompatible materials. Combining an exptl. low-temp. scanning tunneling microscopy investigation with ab initio calcns.,…

Langmuir, 2010, 26 (10), pp.7208-7215. ⟨10.1021/la904331d⟩. ⟨hal-00604800⟩

  • Article dans une revue

Adsorption of l-DOPA Intercalated in Hydrated Na-Saponite Clay: A Combined Experimental and Theoretical Study

K. El Adraa, V. Timon, J.-F. Lambert, Abdel-Rahman Al-Rabaa, F. Jaber, M. Jaber, Frederik Tielens

The intercalation of L-DOPA into the interlayer space of saponite, a 2:1 phyllosilicate, and the nature of host−guest interactions are investigated by a combined experimental and theoretical approach. L-DOPA zwitterions are accommodated vertically in the interlayer region as a bilayer of partially…

Journal of Physical Chemistry C, 2012, 116, pp.26414−26421. ⟨10.1021/jp3094148⟩. ⟨hal-00808607⟩

  • Article dans une revue

Drastic Au(111) Surface Reconstruction upon Insulin Growth Factor Tripeptide Adsorption

Vincent Humblot, Anne Vallee, Ahmed Naitabdi, Frederik Tielens, Claire-Marie Pradier

Adsorption of biomolecules at metal surfaces often creates two-dimensional ordering of the adlayers. However, metal substrate reconstruction is less commonly observed, unless upon annealing of the molecule−surface system. Here, we report on the drastic room-temperature reconstruction of the Au(111…

Journal of the American Chemical Society, 2012, 134, pp.6579−6583. ⟨10.1021/ja302530q⟩. ⟨hal-00748253⟩

  • Article dans une revue

Chromium Oxide Species Supported on Silica: A Representative Periodic DFT Model

Hazar Guesmi, Frederik Tielens

The Cr/SiO2 system is investigated using periodic DFT. The model represents the amorphous character of the silica surface and allows the investigation of the effect of hydration on the Cr(VI) monomers. First, the geometry and energetics are discussed and compared with experimental data. The phase…

Journal of Physical Chemistry C, 2011, 116, pp.994-1001. ⟨10.1021/jp209680r⟩. ⟨hal-00690824⟩

  • Article dans une revue

Characterization of omega-functionalized undecanethiol mixed self-assembled monolayers on Au(111): A combined polarization modulation infrared reflection-absorption spectroscopy/X-ray photoelectron spectroscopy/periodic density functional theory study

Frederik Tielens, Dominique Costa, Vincent Humblot, Claire-Marie Pradier

The structure of undecanethiol self-assembled monolayers (SAMs) on Au(111) with -COOH and -OH tail groups has been characterized by combining experimental and theoretical techniques. The pure and mixed 1:1 SAMs were investigated. It was found using polarization modulation infrared reflection-…

Journal of Physical Chemistry C, 2008, 112 (1), pp.182-190. ⟨10.1021/jp074023c⟩. ⟨hal-01361366⟩

  • Article dans une revue

Controlling Magnesium Silicates Coprecipitation Conditions: A Tool to Tune Their Surface Acid–Base Reactivity

François Payan, Albert Issa, Jean-Marc Krafft, Yannick Millot, Thomas Onfroy, Capucine Sassoye, Jean-François Hochepied, Guillaume Laugel, Hélène Lauron-Pernot

Magnesium silicates combining acidic and basic surface properties are known to be interesting as heterogeneous catalysts. Nevertheless, their catalytic performances are highly dependent on the synthesis method used. In this study, a series of magnesium silicates was synthesized for the first time…

Catalysts, 2023, 13 (11), pp.1393. ⟨10.3390/catal13111393⟩. ⟨hal-04391661⟩

  • Article dans une revue

Self-assembled multilayers based on native or denatured collagen: mechanism and synthesis of size-controlled nanotubes

Jessem Landoulsi, Sophie Demoustier-Champagne, Christine Dupont-Gillain

The mechanism of layer-by-layer (LbL) assembly using collagen, the major protein of the extracellular matrix, was investigated on flat substrates and in nanoporous templates, with a view to synthesize collagen-contg. nanotubes. The effect of parameters related to geometrical constraints (flat…

Soft Matter, 2011, 7 (7), pp.3337-3347. ⟨10.1039/C0SM00918K⟩. ⟨hal-00602942⟩

  • Article dans une revue

Nickel Coordination to Lattice Oxygens in Basic LSX, X and Y Sodium Faujasites: A DFT Study

Hazar Guesmi, Dominique Costa, Dorothée Berthomieu, Pascale Massiani

The location and coordination of nickel cations inside the hexagonal prism of dehydrated sodium faujasites have been investigated as a function of the framework Al content and distribution by density functional theory (DFT) calculations. Three different Si/Al ratios have been considered in order to…

Journal of Physical Chemistry C, 2011, 115 (13), pp.5607-5618. ⟨10.1021/jp108172t⟩. ⟨hal-00602938⟩

  • Article dans une revue

An UV-Visible study of the stability of the ruthenium hexaammine cation in BEA zeolites—comparison with NaY

Pascale Massiani, Perla Castillo-Villalon, Jorge Ramirez, Marie-Jeanne Peltre, Catherine Louis

A series of Ru/zeolites with Ru content in the range of 1–7 wt.% was prepared by cationic exchange in an aqueous Ru(NH3)6Cl3 solution, at room temperature, of two H–BEA (different particle sizes but same Si/Al ratio of 13), a Cs–BEA (Si/Al 1⁄4 13) and a NaY (Si/Al 1⁄4 2.4), zeolitic supports. The…

Physical Chemistry Chemical Physics, 2004, 6, pp.3739-3746. ⟨hal-00126979⟩