Laboratoire de réactivité de surface

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  • Article dans une revue

Physical techniques and catalyst preparation: Determining the interactions of transition-metal complexes with oxide surfaces

Xavier Carrier, Eric Marceau, Michel Che

This contribution presents the molecular approach used to investigate the different preparation steps of important catalytic systems, based on Mo, Ni, and Co. The first preparation step consists of impregnating oxide supports by aqueous solutions of transition-metal complexes (TMCs), called…

Pure and Applied Chemistry, 2006, 78, pp.1039-1055. ⟨10.1351/pac200678051039⟩. ⟨hal-00077133⟩

  • Article dans une revue

Deciphering pathological remodelling of the human cartilage extracellular matrix in osteoarthritis at the supramolecular level

Ilhem Lilia Jaabar, Pauline Cornette, Antoine Miche, Kristell Wanherdrick, Vincent Dupres, François-Paul Ehkirch, Adeline Cambon Binder, Francis Berenbaum, Xavier Houard, Jessem Landoulsi

Osteoarthritis induces a combination of chemical, structural and nanomechanical changes to collagen fibrils and aggrecan aggregates, the main building blocks of cartilage ECM, that may be mimicked by specific enzymatic reactions.

Nanoscale, 2022, 14 (24), pp.8691-8708. ⟨10.1039/d2nr00474g⟩. ⟨hal-03986333⟩

  • Article dans une revue

Influence of the nature and environment of cobalt on the catalytic activity of Co-BEA zeolites in selective catalytic reduction of NO with ammonia

Rafal Baran, Jean-Marc Krafft, Thomas Onfroy, Teresa Grzybek, Stanislaw Dzwigaj

The influence of cobalt environment on the catalytic properties of CoxSiBEA zeolite in selective catalytic reduction of NO with ammonia was studied. Catalysts were prepared by a two-step postsynthesis method which consists, in the first step, of dealumination of parent BEA zeolite to obtain…

Microporous and Mesoporous Materials, 2016, 225, pp.515-523. ⟨10.1016/j.micromeso.2015.12.061⟩. ⟨hal-01275301⟩

  • Thèse

Biominéralisation intracellulaire par des cyanobactéries : du modèle aux cellules, Intracellular biomineralization by cyanobacteria : from model to cells

Nithavong Cam

Cette thèse vise à avancer dans la compréhension de la formation récemment découverte de carbonates amorphes intracellulaires par des cyanobactéries. Des synthèses abiotiques ont permis de produire des carbonates similaires aux inclusions intracellulaires en termes de morphologie, structure et…, In this thesis we study the recently discovered formation of intracellular amorphous carbonates by cyanobacteria. Abiotic syntheses produced carbonates with a morphology, structure and composition similar as intracellular inclusions. The intracellular chemical conditions in the cyanobacteria can be…

Chimie-Physique [physics.chem-ph]. Université Pierre et Marie Curie - Paris VI, 2015. Français. ⟨NNT : 2015PA066495⟩. ⟨tel-01299797⟩

  • Thèse

Transformations de l'isopropanol sur solides aluminiques : une approche mixte expérimentale / modélisation multi-échelle, Conversion of isopropanol on aluminic materials : a mixed experimental and multi-scale modeling approach

Kim Larmier

La valorisation de la biomasse lignocellulosique en molécules plateforme pour l'industrie chimique rend nécessaire l'adaptation des méthodes de raffinage à la transformation de composés organiques oxygénés. La déshydratation des alcools connaît dans ce contexte un fort regain d'…, The upgrading of lignocellulosic biomass into strategic molecules for the chemical industry requires the adaptation of refining procedures to the transformation of oxygenated species. In this context, the dehydration of alcohols has seen renewed interest over the last decade. The work presented…

Chimie-Physique [physics.chem-ph]. Université Pierre et Marie Curie - Paris VI, 2015. Français. ⟨NNT : 2015PA066396⟩. ⟨tel-01282594⟩

  • Article dans une revue

Effect of pH on the incorporation of acrylic acid units in the core of polymer nanoparticles prepared by PISA and on their morphology

Clément Debrie, Noémie Coudert, Jean-Michel Guigner, Fanny Coumes, Clément Guibert, Simon Harrisson, François Stoffelbach, Olivier Colombani, Jutta Rieger

Polymerization-induced self-assembly (PISA) is a polymerization process in which amphiphilic block copolymers are simultaneously synthesized and self-assembled in a selective solvent, leading to nanoparticles of different morphologies. Copolymerization has been reported as a means to tune…

Polymer Chemistry, 2024, 15 (24), pp.2462-2475. ⟨10.1039/D4PY00373J⟩. ⟨hal-04649351⟩

  • Article dans une revue

Group V metal substitution in silicate model zeolites: In search for the active site

Frederik Tielens, Stanislaw Dzwigaj

Group V substituted zeolites were characterized using periodic DFT. It is found that the group V sites in zeolite materials become more hydrophobic and less reducible descending the column of the Period Table. The stable site with T=O group for T = V, transforms into a site with T-OH group for T =…

Chemical Physics Letters, 2010, 501 (1-3), pp.59-63. ⟨10.1016/j.cplett.2010.10.038⟩. ⟨hal-00604803⟩

  • Article dans une revue

AuS and SH Bond Formation/Breaking during the Formation of Alkanethiol SAMs on Au(111): A Theoretical Study

Frederik Tielens, Elizabeth Santos

The bonding of propanethiol mols. on a Au(111) surface is studied using period DFT calcns. within the framework of the model for chem. bond breaking that was recently proposed. The S-H bond breaking and the Au-S bond formation are analyzed through the evolution of the d. of states. The energetics…

Journal of Physical Chemistry C, 2010, 114 (20), pp.9444-9452. ⟨10.1021/jp102036r⟩. ⟨hal-00604807⟩

  • Article dans une revue

The Formation of Gold Clusters Supported on Mesoporous Silica Material Surfaces: A Molecular Picture

A. Wojtaszek, I. Sobczak, M. Ziolek, Frederik Tielens

The interaction of gold particles with a silica surface is investigated using a combination of theor. and exptl. techniques. It is found that the physisorption strength of gold on silica decreases with increasing chloride concn. at the surface, with increasing cluster size, and with decreasing…

Journal of Physical Chemistry C, 2010, 114 (19), pp.9002-9007. ⟨10.1021/jp1012279⟩. ⟨hal-00604813⟩

  • Article dans une revue

Probing Acid Base Properties in Group V Aluminum Containing Zeolites

A. Wojtaszek, Maria Ziolek, Frederik Tielens

The stability and acid base properties of group V Al containing zeolites have been investigated using a combination of experiment and theory. Using periodic density functional theory for a systematic investigation on a series of model zeolites, it is shown that the XdO group is more stabilized for…

Journal of Physical Chemistry C, 2011, 116, pp.2462-2468. ⟨10.1021/jp208638k⟩. ⟨hal-00750009⟩