Laboratoire de réactivité de surface

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  • Article dans une revue

What do vanadium framework sites look like in redox model silicate zeolites?

Frederik Tielens, Monica Calatayud, Stanislaw Dzwigaj, Michel Che

Ab initio periodic DFT Calculations on the structural and energy properties of different model vanadium framework sites in vanadium-substituted zeolites containing sodalite cavities are presented and related to experimental FTIR measurements on V containing SiBEA zeolite. The vanadium framework…

Microporous and Mesoporous Materials, 2009, 119 (1-3), pp.137-143. ⟨10.1016/j.micromeso.2008.10.007⟩. ⟨hal-01361361⟩

  • Article dans une revue

Nature of vanadium species in V substituted zeolites: A combined experimental and theoretical study

M. Trejda, M. Ziolek, S. Dzwigaj, Frederik Tielens

The nature of vanadium species in V substituted zeolites is determined by combined experimental (XRD, FTIR, DR UV-vis) and theoretical (periodic DFT Calculations) Study. The introduction of V ions in lattice sites of SiBEA zeolite is evidenced by XRD and FTIR spectroscopy. The state of vanadium is…

Catalysis Today, 2008, 139 (3), pp.221-226. ⟨10.1016/j.cattod.2008.04.007⟩. ⟨hal-01361370⟩

  • Article dans une revue

Reactivity of gas-phase, crystal and supported V2O5 systems studied using density functional theory based reactivity indices

M. Calatayud, Frederik Tielens, F. de Proft

The existence of stable V2O5 compounds as gas-phase cluster, single crystal or as supported catalyst has motivated the present work aiming at characterizing the chemical reactivity of the different aggregated moieties. We apply the concepts of electrostatic potential and Fukui function, based on…

Chemical Physics Letters, 2008, 456 (1-3), pp.59-63. ⟨10.1016/j.cplett.2008.03.007⟩. ⟨hal-01361372⟩

  • Ouvrages

Characterization of Solid Materials and Heterogeneous Catalysts: From Structure to Surface Reactivity, Volume 1&2

Che Michel, Védrine Jacques C.

This two-volume book provides an overview of physical techniques used to characterize the structure of solid materials, on the one hand, and to investigate the reactivity of their surface, on the other. Therefore this book is a must-have for anyone working in fields related to surface reactivity.…

2012, ⟨10.1002/9783527645329⟩. ⟨hal-01121673⟩

  • Article dans une revue

Preparation of Highly Anisotropic Cobalt Ferrite/Silica Microellipsoids Using an External Magnetic Field

Sébastien Abramson, Vincent Dupuis, Sophie Neveu, Patricia Beaunier, David Montero

Magnetic cobalt ferrite/silica microparticles having both an original morphology and an anisotropic nanostructure are synthesized through the use of an external magnetic field and nanoparticles characterized by a high magnetic anisotropy. The association of these two factors implies that the ESE…

Langmuir, 2014, 30 (30), pp.9190-200. ⟨10.1021/la501547q⟩. ⟨hal-01121597⟩

  • Article dans une revue

Exploring the reactivity of intraframework vanadium, niobium and tantalum sites in zeolitic materials using the molecular electrostatic potential

Frederik Tielens

The acid-base properties of group 5 zeolitic structures are discussed using the molecular electrostatic potential. The results point out that vanadium doped zeolites are less appropriate for electrophilic reactions, yielding minor basic character when they are compared with Nb or Ta doped zeolites.…

Journal of Molecular Structure: THEOCHEM, 2009, 903 (1-3, SI), pp.23-27. ⟨10.1016/j.theochem.2008.09.045⟩. ⟨hal-01361358⟩

  • Article dans une revue

Magnetic Traits in CoO‐Core@CoFe 2 O 4 ‐shell Like Nanoparticles

Nancy Flores-Martinez, Margot Roemer, Sarra Gam-Derouich, Patricia Beaunier, David Habrovsky, Souad Ammar

Antiferromagnetic (AF) CoO pseudo-single crystals 125±20 nm in diameter were prepared by forced hydrolysis in polyol and used as seeds to grow a poly- and nano-crystalline (5 nm in diameter) ferrimagnetic (F) CoFe2O4 shell. Transmission electron microscopy (TEM) showed a certain epitaxy between the…

ChemNanoMat, 2019, 5 (4), pp.514-524. ⟨10.1002/cnma.201800544⟩. ⟨hal-04022347⟩

  • Communication dans un congrès

Nouvelles biocathodes graphite/nitrure de carbone amorphe/laccase pour la réduction de l'oxygène par transfert électronique direct

Achraft Blout, Alain Pailleret, Hubert Perrot, Claude Jolivalt

Les enzymes constituent une alternative intéressante aux catalyseurs métalliques car elles possèdent une meilleure sélectivité et des performances catalytiques souvent plus élevées. Elles peuvent être utilisées dans différents types de dispositifs électrochimiques comme les piles à combustible1.…

Journées d'Electrochimie 2017 (JE 2017), Société Chimique de France (SCF), Jun 2017, Bordeaux, France. ⟨hal-03946920⟩

  • Article dans une revue

Engineering of Antimicrobial Surfaces by Using Temporin Analogs to Tune the Biocidal/antiadhesive Effect

Pierre-Carl Oger, Christophe Piesse, Ali Ladram, Vincent Humblot

Proliferation of resistant bacteria on biomaterials is a major problem leading to nosocomial infections. Due to their broad-spectrum activity and their ability to disrupt bacterial membranes through a rapid membranolytic mechanism, antimicrobial peptides (AMPs) are less susceptible to the…

Molecules, 2019, 24 (4), pp.814. ⟨10.3390/molecules24040814⟩. ⟨hal-02052750⟩

  • Article dans une revue

Reactivity of oxygen species formed upon N2O dissociation over Fe-ZSM-5 zeolite: CO oxidation as a model

Hazar Guesmi, Dorothée Berthomieu, Lioubov Kiwi-Minsker

The oxidative power toward CO of α-oxygen formed upon N2O dissociation over isolated and binuclear Fe/ZSM-5 zeolite is investigated by means of DFT calculations. The two α-sites [Fe-O]+ and [Fe-(μO)-(μOH)-Fe]+ exchanged in ZSM-5 were considered since their activity in the N2O decomposition was…

Catalysis Communications, 2010, 11 (12), pp.1026-1031. ⟨10.1016/j.catcom.2010.05.001⟩. ⟨hal-00489623⟩