Laboratoire de réactivité de surface

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  • Article dans une revue

Effects of organic and inorganic treatment agents on the formation of conversion layer on hot-dip galvanized steel: An X-ray photoelectron spectroscopy study

S. Le Manchet, D. Verchere, Jessem Landoulsi

The formation of a Cr-free conversion layer on hot-dip galvanized (HDG) steel involves various interfacial processes which radically influence the composition of the coating and thus its performance. Here, we investigate the role of the main constituents contained in the treatment bath, the…

Thin Solid Films, 2012, 520, pp.2009-2016. ⟨10.1016/j.tsf.2011.09.064⟩. ⟨hal-00748848⟩

  • Article dans une revue

Enhanced selective nitroarene hydrogenation over Au supported on b-Mo2C and b-Mo2C/Al2O3

Noemie Perret, Xiaodong Wang, Laurent Delannoy, Claude Potvin, Catherine Louis, Mark A. Keane

b-Mo2C and b-Mo2C/Al2O3 have been synthesised via temperature programmed carburisation and employed, for the first time, as supports for gold catalysts. 1%w/w Au/Mo2C and Au/Mo2C/Al2O3 were prepared by deposition-precipitation with urea and used to promote the gas phase hydrogenation of para-…

Journal of Catalysis, 2011, 286, pp.172-183. ⟨10.1016/j.jcat.2011.10.026⟩. ⟨hal-00687605⟩

  • 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⟩

  • Article dans une revue

Alternated p-Conjugated Polymers Based on a 1,2- Diiminocyclohexane Chiral Unit for Nitroaromatics Sensing

Simon Clavaguera, Olivier J. Dautel, Lionel Hairault, Christophe Méthivier, Pierre Montméat, Eric Pasquinet, Claire-Marie Pradier, Françoise Serein-Spirau, Salem Wakim, Florian Veignal, Joël J.E. Moreau, Jean-Pierre Lère-Porte

The detection of 2,4-dinitrotoluene (DNT) by fluorescence quenching of a new class of polyimines consisting in p-conjugated segments regularly alternated with chiral C2 symmetry units has been studied for solutions and thin films. Their photophysical properties and their sensitivity towards DNT…

Journal of Polymer Science Part A: Polymer Chemistry, 2009, pp.xxx, xxx. ⟨10.1002/pola.23474⟩. ⟨hal-00394190⟩

  • Article dans une revue

Transition-Metal-Free Catalysts for the Sustainable Epoxidation of Alkenes: From Discovery to Optimisation by Means of High Throughput Experimentation

Warunee Lueangchaichaweng, Inge Geukens, Annelies Peeters, Benjamin Jarry, Franck Launay, Jean-Luc Bonardet, Pierre A. Jacobs, Paolo P. Pescarmona

Abstract: Transition-metal-free oxides were studied as heterogeneous catalysts for the sustainable epoxidation of alkenes with aqueous H2O2 by means of high throughput experimentation (HTE) techniques. A full-factorial HTE approach was applied in the various stages of the development of the…

Combinatorial Chemistry and High Throughput Screening, 2012, 15, pp.140-151. ⟨10.2174/138620712798868338⟩. ⟨hal-00757239⟩

  • Article dans une revue

Biosensors elaborated on gold nanoparticles, a PM-IRRAS characterisation of the IgG binding efficiency.

Anne-Laure Morel, Souhir Boujday, Christophe Méthivier, Jean-Marc Krafft, Claire-Marie Pradier

This work is focused on studying the grafting of gold nanoparticles (Np) on a cystamine self-assembled monolayer on gold, in order to build sensitive immunosensors. The synthesis and deposition of gold nanoparticles, 13 and 55 nm sizes, were characterised by combining Polarisation Modulation…

Talanta, 2011, 85, pp.35-42. ⟨10.1016/j.talanta.2011.02.028⟩. ⟨hal-00668945⟩

  • Article dans une revue

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⟩

  • Article dans une revue

Methanol Oxidation to Formaldehyde on VSiBEA Zeolite: A Combined DFT/vdW/Transition Path Sampling and Experimental Study

Diana C. Tranca, Frerich J. Keil, Ionut Tranca, Monica Calatayud, Stanislaw Dzwigaj, Maciej Trejda, Frederik Tielens

Density functional calculations have been performed applying periodic boundary conditions to investigate the oxidation of methanol on vanadium-containing SiBEA zeolite (VSiBEA). Different types of reaction configurations have been set up in conformity with the experimental conditions. Thermodynamic…

Journal of Physical Chemistry C, 2015, 119 (24), pp.13619-13631. ⟨10.1021/acs.jpcc.5b01911⟩. ⟨hal-01226507⟩

  • Article dans une revue

Nanocrystalline NbC formation from mesostructured niobium oxide studied by HRTEM, SAED and in situ XRD

S. Witkowski, M. Ruszak, Celine Sayag, J. Pielaszek, G. Djéga-Mariadassou

Mechanism of the nanometric size niobium carbide synthesis from mesostructured niobium oxide precursor is proposed. High-resolution transmission electron microscopy (HRTEM) and selected area electron diffraction (SAED) combined with in situ X-ray diffraction (XRD) were successfully used to study…

Applied Catalysis A : General, 2006, 307, pp.205-211. ⟨10.1016/j.apcata.2006.03.044⟩. ⟨hal-00128099⟩

  • Article dans une revue

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⟩