Laboratoire de réactivité de surface

Publications du LRS

Publications HAL

Recherche Avancée

  • Article dans une revue

Ab initio study of the hydroxylated surface of amorphous silica : a representative model.

Frederik Tielens, Christel Gervais, Jean François Lambert, Francesco Mauri, Dominique Costa

A new complete, representative model for the hydroxylated surface of amorphous silica is presented and characterized by means of periodic DFT calculations. This model accounts for the experimentally encountered ring size distribution, Si-O-Si and O-Si-O angles, silanols density, and distribution (…

Chemistry of Materials, 2008, 20 (10), pp.3336-3344. ⟨10.1021/cm8001173⟩. ⟨hal-00347955⟩

  • Article dans une revue

From Al2O3-supported Ni(II)-ethylenediamine Complexes to CO Hydrogenation Catalysts: Importance of the Hydrogen Post-treatment Evidenced by XPS

Fabien Négrier, Eric Marceau, Michel Che, Jean-Marc Giraudon, Léon Gengembre, Axel Löfberg

Ni (7 wt%)/Al2O3 catalysts prepared by decomposition of Ni(II)-ethylenediamine complexes in inert atmosphere initially contain a mixture of metallic and oxidized nickel. X-ray photoelectron spectroscopy shows that after a hydrogen treatment at 500°C, the system contains more metallic nickel than…

Catalysis Letters, 2008, 124, pp.18..23. ⟨10.1007/s10562-008-9514-5⟩. ⟨hal-00308479⟩

  • Article dans une revue

On the reactivity of NO/N2 mixtures with aluminum surfaces: a combined PM-IRRAS and QCM investigation

Aude Delebecque, Cyril Thomas, Claire-Marie Pradier, Christophe Methivier, Hervé Paoli, Martine Carré, Eric Coffre

Abstract. The interaction of NO, and the further reactivity of oxygen, with water-passivated aluminum surfaces are investigated for the first time by in situ Polarization Modulation Infrared Reflexion Absorption Spectroscopy (PM-IRRAS) coupled with Quartz Crystal Microbalance (QCM). Chemical and…

Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 602, pp.283-290. ⟨10.1016/j.susc.2007.10.035⟩. ⟨hal-00202695⟩

  • Article dans une revue

A Study of Cobalt Speciation in Co/Al2O3 Catalysts Prepared from Solutions of Cobalt-Ethylenediamine Complexes

François Dumond, Eric Marceau, Michel Che

The thermal reduction of Co/Al2O3 catalysts prepared by impregnation of Co(II) nitrate generally leads to migration of cobalt ions into alumina with formation of cobalt aluminate. In order to prevent the latter, it is attempted to reduce cobalt by decomposition of supported precursor salts…

Journal of Physical Chemistry C, 2007, 111 (12), pp.4780-4789. ⟨10.1021/jp067781w⟩. ⟨hal-00143721⟩

  • Article dans une revue

Unravelling the enhanced reactivity of bulk CeO2 doped with gallium: A periodic DFT study

Paola Quaino, Olga Syzgantseva, Luca Siffert, Frederik Tielens, Christian Minot, Monica Calatayud

Doping CeO2 with gallium leads to promising materials with application in hydrogen purification processes for fuel cells. The bulk ceria-gallia is investigated by ab initio calculations. The outstanding reactivity is explained by important relaxations induced by gallium in the ceria host, having a…

Chemical Physics Letters, 2011, 519-520, pp.69-72. ⟨10.1016/j.cplett.2011.11.022⟩. ⟨hal-00690790⟩

  • Article dans une revue

Bimetallic Au-Pd catalysts for selective hydrogenation of butadiene: Influence of the preparation method on catalytic properties

N. El Kolli, L. Delannoy, C. Louis

Supported Au catalysts modified by the addition of small amount of Pd (Au/Pd atomic ratio (10) were prepared according to three different methods, co-deposition-precipitation with urea (DPU), deposition of colloids stabilised either by polyvinyl alcohol (PVA) or by tetrakis (hydroxypropyl)…

Journal of Catalysis, 2012, 297, pp.79-92. ⟨10.1016/j.jcat.2012.09.022⟩. ⟨hal-00809388⟩

  • Article dans une revue

Stochastic Simulation and Single Events Kinetic Modeling: Application to Olefin Oligomerization

Javad Sharouzi, Denis Guillaume, Pierre Rouchon, Patrick da Costa

In order to handle a tractable network for complex reaction systems such as oligomerization, stochastic tools are applied to reduce the reaction mechanism. The particularity of this work is that quantitative single event kinetic modeling constants are used to generate a network which correctly…

Industrial and engineering chemistry research, 2008, pp.4308-4316. ⟨10.1021/ie071215l⟩. ⟨hal-00449235⟩

  • Article dans une revue

An easy way to obtain thin gold film on silica glass substrate by chemical method

Anne-Félicie Lamic-Humblot, Sandra Casale, Cédric Leger, S. Alpérine, Catherine Louis

Physical methods of metal deposition under ultra-high vacuum conditions are currently used to manufacture electrically conductive surfaces. In the case of silica glass, a supplementary oxide layer is usually required to avoid the uncontrolled growth of metal nanoparticles on the surface. Here, we…

Thin Solid Films, 2013, 539, pp.151-153. ⟨10.1016/j.tsf.2013.05.085⟩. ⟨hal-00907371⟩

  • Article dans une revue

Mononuclear pseudo-tetrahedral V species of VSiBEA zeolite as the active sites of the selective oxidative dehydrogenation of propane

Karolina Chalupka, Cyril Thomas, Yannick Millot, Frédéric Averseng, Stanislaw Dzwigaj

This work reports on the investigation of the influence of the nature of the V species in the ODH of propane. For this purpose, VSiBEA catalysts, including framework and/or extra-framework V species, were synthesized via the two-step method by controlling the speciation of the V species of the…

Journal of Catalysis, 2013, 305, pp.46-55. ⟨10.1016/j.jcat.2013.04.020⟩. ⟨hal-00907796⟩

  • Article dans une revue

Comment on “Direct Decomposition of NO x over TiO 2 Supported Transition Metal Oxides at Low Temperatures”

Josefine Schnee, Laurent Delannoy, Guylène Costentin, Frédéric Meunier, Cyril Thomas

In a recent paper entitled "Direct decomposition of NO x over TiO 2 supported transition metal oxides at low temperatures", 1 Damma et al. report highly promising results on the catalytic direct decomposition of NO to N 2 and O 2 at temperatures as low as 100 °C, with excellent tolerance…

Industrial and engineering chemistry research, 2020, 59, pp.4835-4837. ⟨10.1021/acs.iecr.0c00412⟩. ⟨hal-02504389⟩