Laboratoire de réactivité de surface

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  • Article dans une revue

Characterization of Supported Vanadium Oxide Species on Silica: A Periodic DFT Investigation

Mazharul M. Islam, Dominique Costa, Monica Calatayud, Frederik Tielens

The geometry, energetic, and spectroscopic properties of molecular structures of silica-supported vanadium oxide catalysts are studied using periodic density functional calculations. Isolated vanadia units deposed on amorphous silica are modeled at low coverage, 0.44 atoms nm(-2). The models are…

Journal of Physical Chemistry C, 2009, 113 (24), pp.10740-10746. ⟨10.1021/jp902818m⟩. ⟨hal-01361362⟩

  • Article dans une revue

Recent development of heterogeneous catalysis in ring-opening, biocatalysis, and selective partial oxidation reactions on metal oxides

Ioana Fechete, Jacques C. Védrine

In this review article, we analyze the state of the art and future developments in three important domains of heterogeneous catalysis, namely ring opening, biocatalysis, and partial oxidation on metal oxides. After recollecting the scientific bases of each domain, we consider several examples, some…

Comptes Rendus. Chimie, 2018, 21 (3-4), pp.408 - 418. ⟨10.1016/j.crci.2017.12.005⟩. ⟨hal-01761420⟩

  • Article dans une revue

Exploring the reactivity of mixed omega-functionalized undecanethiol self-assembled monolayers - A DFT study

Frederik Tielens, Vincent Humblot, Claire-Marie Pradier

The reactive sites of self-assembled monolayers (SAM) formed by substituted thiolalkyl chains have been predicted in the case of the pure mercaptoundecane acid, for the pure mercaptoundecane alcohol, and the mixed 1:1 SAMs. The differences in reactivity between the different SAM domains (pure and…

International Journal of Quantum Chemistry, 2008, 108 (10), pp.1792-1795. ⟨10.1002/qua.21600⟩. ⟨hal-01361371⟩

  • Article dans une revue

Covalent immobilization of glucose oxidase on mesocellular silica foams: Characterization and stability towards temperature and organic solvents

Noemie Balistreri, Dorian Gaboriau, Claude Jolivalt, Franck Launay

Glucose oxidase (GOx) immobilization onto mesoporous SBA-15 silica and two mesocellular foams (MCF) characterized by similar surface area and pore volumes but different pore/cell dimensions was examined. The covalent grafting of the enzyme through amide bonds was evidenced by controlling pH…

Journal of Molecular Catalysis B: Enzymatic, 2016, 127, pp.26-33. ⟨10.1016/j.molcatb.2016.02.003⟩. ⟨hal-01281753⟩

  • Article dans une revue

Dynamics of Hydration in Vanadia-Titania Catalysts at Low Loading: A Theoretical and Experimental Study

Anna E. Lewandowska, Monica Catalayud, Frederik Tielens, Miguel A. Banares

The hydration process of dehydrated vanadia-titania catalysts at low loading is investigated using periodic DFT calculations. We focus on the early stages of the hydration process of the vanadia-titania in order to shed light onto the structural and dynamical changes occurring at the molecular…

Journal of Physical Chemistry C, 2011, 115, pp.24133-24142. ⟨10.1021/jp204726b⟩. ⟨hal-00669737⟩

  • Article dans une revue

A comparative study of the catalysis of peptide bonds formation by oxide surfaces

Jean-Francois Lambert, Maguy Jaber, Thomas Georgelin, Lorenzo Stievano

It is well-known that amino acids deposited on some inorganic oxides undergo peptidic condensation. It is seldom realised however that a large diversity of behaviours can be observed in such systems. Here we use the apparently simple case of glycine-non-porous silica as a reference system, in which…

Physical Chemistry Chemical Physics, 2013, 15 (32), pp.13371-13380. ⟨10.1039/C3CP51282G⟩. ⟨hal-00924129⟩

  • Article dans une revue

Ruthenium sulfide clusters in acidic zeolites: in situ XAS characterization during sulfidation and reaction

Juliette Blanchard, Kyoko K. Bando, Takashi Matsui, Masaru Harada, Michèle Breysse, Yuji Yoshimura

In situ XAS at the Ru K edge was used to study the reductive sulfidation (15% H2S/H2) of Ru(NH3)63+ supported on HYd zeolite, and the evolution of the sulfided sample under working conditions (lower H2S partial pressure, addition of toluene to the feed). Sulfidation starts at room temperature and…

Applied Catalysis A : General, 2007, XX, pp.XX. ⟨hal-00112011⟩

  • Communication dans un congrès

In situ XAFS study of the thioresistance of metallic Ru supported on HYd zeolite

Juliette Blanchard, K. Kyoko Bando, Christophe Geantet, Takashi Matsui, Michèle Breysse, Yuji Yoshimura

In situ XAFS at the Ru K edge was used to investigate the reduction of Ru(NH3)63+ supported on HYd zeolite, and the evolution of the reduced sample in the presence of sulfur (350 ppm and 2%H2S/H2) at 523K. After reduction at 673K very small Ru° nanoparticules are formed which interact strongly with…

TOCAT5, Jul 2006, Tokyo, Japan. ⟨hal-00112012⟩

  • Article dans une revue

Giant Exchange-Bias in Polyol-Made CoFe2O4-CoO Core-Shell Like Nanoparticles

Nancy Flores-Martinez, Giulia Franceschin, Thomas Gaudisson, Patricia Beaunier, Nader Yaacoub, Jean-Marc Greneche, Raul Valenzuela, Souad Ammar

Cobalt ferrite ferrimagnetic nanoparticles (NPs) are prepared and used in this work as seeds to grow a thin antiferromagnetic poly- and nanocrystalline CoO shell. The major purpose is to study systematically the characteristics of the as-produced powders, making emphasis on their internal…

Particle & Particle Systems Characterization, 2018, 35 (11), pp.1800290. ⟨10.1002/ppsc.201800290⟩. ⟨hal-02114586⟩

  • Chapitre d'ouvrage

La Recherche en Chimie aux Frontières de la Connaissance

Dominique Massiot, Claire-Marie Pradier, Jacques Maddaluno, Jean-François Tassin, Joël Moreau, Mehran Mostafavi, Anne Imberty, Pascal Breuilles, Catherine Larroche

L’Unité Mixte de Recherche est la brique élémentaire, souple et pérenne d’un paysage de la recherche en évolution rapide. De nombreux dispositifs viennent structurer l’activité de ces équipes pour faire émerger des pôles de recherche, consolider le maillage des réseaux nationaux, identifier les…, Mixed research units are building blocks, flexible but permanent, in rapidly evolving fields of research. Several measures shape the activities of research teams and thus give rise to “poles of research”. They also help consolidate national networks, identify strong points, boost the sharing of top…

L’industrie Chimique : quel avenir en France ?, 2015, Annales des Mines, 2015, Annales des Mines. Réalités Industrielles. ⟨hal-01228736⟩