Laboratoire de réactivité de surface

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  • Article dans une revue

Design of photomagnetic ultra-thin films by electrodeposition of switchable cyanide-bridged Fe 4 Co 4 complexes, Conception de films photomagnétiques ultra-minces par électrodéposition de complexes Fe 4 Co 4 pontés au cyanure commutables

Amina Benchohra, Jessem Landoulsi, Niéli Daffé, Christophe Méthivier, Emmanuel Maisonhaute, Laure Fillaud, Jan Dreiser, Michal Studniarek, Marie‐anne Arrio, Yanling Li, Sofia Frida Russi, David Kreher, Rodrigue Lescouëzec

Preparing thin-films of molecular polymetallic materials remains one of the current limitations in the implementation of polymetallic complexes into devices. The hurdle was tackled here using an electrochemical route for depositing the cyanido-bridged polymetallic complex {Tl[Fe II (2-TPhTp)(CN) 3…, La préparation de couches minces de matériaux polymétalliques moléculaires reste l'une des limitations actuelles dans la mise en œuvre de complexes polymétalliques dans des dispositifs. Cet obstacle a été abordé ici en utilisant une voie électrochimique pour déposer le complexe polymétallique…

Small, 2025, ⟨10.1002/smll.202408917⟩. ⟨hal-05011706⟩

  • Article dans une revue

Self-Assembly of Fatty Acids on Hydroxylated Al Surface and Effects of Their Stability on Wettability and Nanoscale Organization

Irma Liascukiene, Marie Steffenhagen, Svajus J. Asadauskas, Jean-François Lambert, Jessem Landoulsi

The self-assembly of fatty acids (FA) on the surfaces of inorganic materials is a relevant way to control their wetting properties. While the mechanism of adsorption on model flat substrate is well described in the literature, interfacial processes remain poorly documented on nanostructured…

Langmuir, 2014, 30 (20), pp.5797-5807. ⟨10.1021/la404756y⟩. ⟨hal-01121646⟩

  • Article dans une revue

Revisiting active sites in heterogeneous catalysis: Their structure and their dynamic behaviour

Jacques C. Vedrine

This short review article aims at revisiting the description of active sites in heterogeneous catalysis on solid surfaces and their role in catalyst activity and selectivity. Special emphasis is brought to: (i) structure of the solid surface; (ii) importance of active site isolation on the surface…

Applied Catalysis A : General, 2014, 474, pp.40-50. ⟨10.1016/j.apcata.2013.05.029⟩. ⟨hal-01121663⟩

  • Article dans une revue

Modification of TiO2 by bimetallic Au–Cu nanoparticles for wastewater treatment

Zibin Hai, Nadia El Kolli, Daniel Bahena Uribe, Patricia Beaunier, Miguel José-Yacaman, Jackie Vigneron, Arnaud Etcheberry, Sébastien Sorgues, Christophe Colbeau-Justin, Jiafu Chen, Hynd Remita

Au, Cu and bimetallic Au–Cu nanoparticles were synthesized on the surface of commercial TiO2 compounds (P25) by reduction of the metal precursors with tetrakis(hydroxymethyl) phosphonium chloride (THPC) (0.5% in weight). The alloyed structure of Au–Cu NPs was confirmed by HAADF-STEM, EDS, HRTEM and…

Journal of Materials Chemistry, 2013, 1 (36), pp.10829-10835. ⟨10.1039/C3TA11684K⟩. ⟨hal-01121563⟩

  • Article dans une revue

Influence of synthesis parameters of SBA-15 supported palladium catalysts for methane combustion and simultaneous NOx reduction

Maya Boutros, María Elena Gálvez, Thomas Onfroy, Patrick da Costa

Several synthesis routes were followed to prepare ordered mesoporous silica, SBA-15, and alumino-silica, Al–SBA-15, supported palladium catalysts. Synthesis method as well as the nature of precursor used in the preparation of these catalysts strongly determined their physico-chemical features which…

Microporous and Mesoporous Materials, 2014, 183, pp.1-8. ⟨10.1016/j.micromeso.2013.08.031⟩. ⟨hal-01121621⟩

  • Article dans une revue

Elaboration, characterization and properties of silica-based single-site heterogeneous photocatalysts

M. Che, K. Mori, H. Yamashita

This study concerns single-site heterogeneous photocatalysts, composed of isolated transition metals ions (single-sites) dispersed on silica-based supports, which can be used as photocatalysts. The first part gives the definition of single-site heterogeneous catalysts. The main difficulty to…

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2012, 468 (2143), pp.2113-2128. ⟨10.1098/rspa.2012.0139⟩. ⟨hal-01121669⟩

  • Communication dans un congrès

Glycine Interaction with Geminal and Vicinal Silanols

D. Costa, Frederik Tielens, L. Stievano, J-F. Lambert

A periodic DFT study of the adsorption of glycine on an amorphous silica surface is presented. It is shown that glycine adsorbs via a specific interaction with the geminal silanols. Geminal silanols are the most reactive sites for glycine adsorption and the adsorption on these sites is irreversible…

THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, 2009, Unknown, Unknown Region. pp.251-256. ⟨hal-01361359⟩

  • Article dans une revue

Exploring the Reactivity of Framework Vanadium, Niobium, and Tantalum Sites in Zeolitic Materials Using DFT Reactivity Descriptors

Frederik Tielens

The acid-base properties of zeolites with group 5 transition metal framework sites are investigated, and a first step into the understanding of their acid/base and redox properties is undertaken using DFT reactivity descriptors. It is evidenced, using socialite as model system, that zeolites with…

Journal of Computational Chemistry, 2009, 30 (12), pp.1946-1951. ⟨10.1002/jcc.21192⟩. ⟨hal-01361363⟩

  • Article dans une revue

Cation distributions on CoAl2O4 and Co2AlO4 spinels: pressure and temperature effects

R. Franco, Frederik Tielens, M. Calatayud, J. M. Recio

Structural, energetic and thermodynamic properties of CoAl2O4 and Co2AlO4 spinels are investigated using the density functional theory formalism. Thermal effects are incorporated by means of a non-empirical quasi-harmonic Debye-like model that allows us to study the influence of temperature on the…

High Pressure Research, 2008, 28 (4), pp.521-524. ⟨10.1080/08957950802489577⟩. ⟨hal-01361367⟩

  • Article dans une revue

How Surface Hydroxyls Enhance MgO Reactivity in Basic Catalysis: The Case of Methylbutynol Conversion

Petitjean Hugo, Hazar Guesmi, Lauron-Pernot Hélène, Costentin Guylène, David Loffreda, Philippe Sautet, Françoise Delbecq

This combined experimental and theoretical study aims at understanding why surface hydroxyl groups may enhance catalytic reactivity of MgO surfaces in basic catalysis, whereas hydroxyls are weakly deprotonating groups. We investigated that reactivity enhancement in the catalytic conversion of 2-…

ACS Catalysis, 2014, 4 (11), pp.4004-4014. ⟨10.1021/cs5010807⟩. ⟨hal-01121971⟩