• Article dans une revue

The past, present and future of heterogeneous catalysis

Ioana Fechete, Ye Wang, Jacques Vedrine

This review highlights key catalytic discoveries and the main industrial catalytic processes over the last 300 years that involved commodities, fine chemicals, petrochemicals, petroleum transformation for fuels and energy supply, emission control, and so forth. In the past, discoveries have often…

Catalysis Today, 2012, 189, pp.2-27. ⟨10.1016/j.cattod.2012.04.003⟩. ⟨hal-00744317⟩

• Article dans une revue

Different Kinds of Tetrahedral V Species in Vanadium-Containing Zeolites Evidenced by Diffuse Reflectance UV-vis, Raman, and Periodic Density Functional Theory

Anna E. Lewandowska, Miguel A. Banares, Frederik Tielens, Michel Che, Stanislaw Dzwigaj

The combined use of DR-UV-vis and Raman spectroscopies allows one to evidence three kinds of tetrahedral V-V with different structure in V(x)SiBEA zeolite. In all cases, vanadium species possess distorted tetrahedral configuration. At very low vanadium content (0.05 wt %), the majority of…

Journal of Physical Chemistry C, 2010, 114 (46), pp.19771-19776. ⟨10.1021/jp107589d⟩. ⟨hal-00604774⟩

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What Do the Niobium Framework Sites Look Like in Redox Zeolites? A Combined Theoretical and Experimental Investigation

Frederik Tielens, Tetsuya Shishido, Stanislaw Dzwigaj

Ab initio periodic DFT calculations oil the structural and energy properties of different model niobium framework sites ill niobium-substituted zeolites containing sodalite cavities are presented and related to experimental FTIR measurements oil Nb containing SiBEA zeolite. The niobium framework…

Journal of Physical Chemistry C, 2010, 114 (7), pp.3140-3147. ⟨10.1021/jp910956j⟩. ⟨hal-00604809⟩

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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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An Experimental and Theoretical Approach to Investigate the Effect of Chain Length on Aminothiol Adsorption and Assembly on Gold

Erin Bedford, Vincent Humblot, Christophe Méthivier, Claire-Marie Pradier, Frank Gu, Frederik Tielens, Souhir Boujday

Despite the numerous studies on the self-assembled monolayers (SAMs) of alkylthiols on gold, the mechanisms involved, especially the nature and influence of the thiol-gold interface are still under debate. In this work the adsorption of aminothiols on Au(111) surfaces has been studied by using…

Chemistry - A European Journal, 2015, 21 (41), pp.14555-14561. ⟨10.1002/chem.201500653⟩. ⟨hal-01275048⟩

• 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⟩

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Les Hydroxyapatites, un système basique atypique modulable par la synthèse : vers l'identification des sites actifs, Hydroxyapatites, an atypical basic system tuneable by synthesis: toward the identification of active sites

Sarah Diallo Garcia

Les Hydroxyapatites (HAp) sont des matériaux basiques dont les propriétés catalytiques atypiques, notamment leur très bonne sélectivité pour la transformation de l'éthanol en n-butanol, sont encore mal rationnalisées. La modulation de leur paramètres de synthèse ainsi leur aptitude à la…, Hydroxyapatites (HAp) are basic materials whose atypical catalytic properties, in particular their high selectivity in n-butanol from ethanol's conversion, are yet to be rationalised. Modulation of their synthesis parameters as well as their ability toward substitution allowed us to use their…

Science des matériaux [cond-mat.mtrl-sci]. Université Pierre et Marie Curie - Paris VI, 2012. Français. ⟨NNT : ⟩. ⟨tel-00828591⟩

• Thèse

Les nanoparticules d'or comme agents de nanostructuration et de transduction pour les biocapteurs. Application à l'immunodétection du diclofénac et de l'entérotoxine A de S. aureus, Gold nanoparticles as nanostructuring and transduction agents for biosensors. Application in the immunodetection of diclofenac and enterotoxin A from S.aureus

Maroua Ben Haddada

Ce travail s’est focalisé sur l’apport des nanoparticules d’or (GNPs) dans la construction d’immunocapteurs piézoélectriques et plasmoniques. Deux stratégies ont été mises en œuvre, mettant à profit les propriétés physico-chimiques uniques des GNPs La première approche a consisté à nanostructurer…, This project focussed on the asset of gold nanoparticles (GNPs) in the build up of piezoelectric and plasmonic immunosensors. Two strategies were implemented, taking advantage of the unique physico-chemical features of GNPs. The first approach consisted in nanostructuring the surface of…

Chimie-Physique [physics.chem-ph]. Université Pierre et Marie Curie - Paris VI, 2016. Français. ⟨NNT : 2016PA066625⟩. ⟨tel-01901562⟩

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In situ surface imaging: High temperature environmental SEM study of the surface changes during heat treatment of an Al Si coated boron steel

M. Barreau, C. Méthivier, T. Sturel, C. Allely, P. Drillet, S. Cremel, R. Grigorieva, B. Nabi, Renaud Podor, J. Lautru, V. Humblot, J. Landoulsi, X. Carrier

Al-Si coated boron steels have been of interest for many years because of their superior mechanical properties and their excellent oxidation resistance. These high strength steels are particularly used in hot stamping processes during which the Al-Si coating undergoes multiple microstructural…

Materials Characterization, 2020, 163, pp.110266. ⟨10.1016/j.matchar.2020.110266⟩. ⟨hal-03012691⟩

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Preparation of Co 2+ /ZSM5 Catalysts by Solid-State Reaction: Influence of the Precursor on Cobalt Speciation

M. Mhamdi, E. Marceau, S. Khaddar-Zine, A. Ghorbel, M. Che, Y. Ben Taarit, F. Villain

Zeitschrift für Physikalische Chemie, 2005, 219 (7-2005), pp.963-978. ⟨10.1524/zpch.219.7.963.67087⟩. ⟨hal-03032198⟩