• Article dans une revue

Synergy between XANES spectroscopy and DFT to Elucidate the Amorphous Structure of Heterogeneous Catalysts: TiO2-Supported Molybdenium Oxide Catalysts

Asma Tougerti, Elise Berrier, Anne-Sophie Mamede, Camille La Fontaine, Valérie Briois, Yves Joly, Edmond Payen, Sylvain Cristol, J.F. Paul

Angewandte Chemie International Edition, 2013, 52, pp.6440. ⟨10.1002/ange.201300538⟩. ⟨hal-00855400⟩

• Communication dans un congrès

Structural and computational analysis of Y0.88Ni3-xMnx compounds to understand the localization of Mn atoms

J Monnier, J Zhang, G Fedlouk, J Chan, L Lei, S Ling, L. Laversenne, E Kurchavova, M Turmine, V Vivier, M Mateos, F Cuevas

Intermetallic compounds ABn (A=rare earth, Mg; B=early transition metal, 2≤n≤5) can store large amount of hydrogen. They have been investigated as negative electrode materials for Ni-MH batteries due to their outstanding electrochemical properties, including in new protic ionic liquid (PIL)…

Association Française de Cristallographie, Jul 2024, Montpellier, France. ⟨hal-04958759v2⟩

• Article dans une revue

Equilibrium and dynamics of single-peptide binding to aluminum oxides: Emphasizing the role of local surface charge and hydrophobicity

Joanne Lê-Chesnais, Christophe Méthivier, Daniela Rodriguez, Christophe Humbert, Jean-François Lambert, Jessem Landoulsi

Understanding the interactions between biomolecules and mineral surfaces is a fundamental challenge at the crossroads of colloid science, surface chemistry, and molecular biophysics. While peptides and amino acids are known to bind a variety of metal oxides, our understanding remains limited…

Applied Surface Sciences Advances, 2025, 29, pp.100840. ⟨10.1016/j.apsadv.2025.100840⟩. ⟨hal-05266519⟩

• Article dans une revue

Oscillatory Behavior of Pd-Au Catalysts in Toluene Total Oxidation

Tarek Barakat, Joanna Rooke, Dayan Chlala, Renaud Cousin, Jean-François Lamonier, Jean-Marc Giraudon, Sandra Casale, Pascale Massiani, Bao-Lian Su, Stéphane Siffert

In this work, the activity of bimetallic Pd-Au doped hierarchically structured titania catalysts has been investigated in the total oxidation of toluene. In earlier works, doping titania with group Vb metal oxides ensured an increased catalytic performance in the elimination of VOC molecules. A…

Catalysts, 2018, 8 (12), pp.574. ⟨10.3390/catal8120574⟩. ⟨hal-02311603⟩

• Article dans une revue

Hydrothermally stable Pd/SiO2@Zr Core@Shell catalysts for diesel oxidation applications

Chih-Han Liu, Junjie Chen, Todd Toops, Jae-Soon Choi, Cyril Thomas, Michael Lance, Eleni Kyriakidou

Hydrothermally stable diesel oxidation catalysts (DOCs) with improved low-temperature activity are desired for the abatement of emissions from diesel vehicles. Herein, novel palladium(Pd)/SiO2(core)@Zr(shell) structured DOCs were developed. SiO2 was completely covered by an 8.4 nm thickness Zr-…

Chemical Engineering Journal, 2021, 425, pp.130637. ⟨10.1016/j.cej.2021.130637⟩. ⟨hal-03343231⟩

• Article dans une revue

Metal-free platforms for molecular thin films as high-performance supercapacitors

Ritu Gupta, Ankur Malik, Kusum Kumari, Saurabh Kumar Singh, Vincent Vivier, Prakash Chandra Mondal

Oligomeric thin films of anthracene, pyrene, and naphthalene are electrochemically prepared on graphite rods for understanding enhanced supercapacitor explained through proton-coupled electron-transfer and electrical double-layer mechanism.

Chemical Science, 2024, 15 (23), pp.8775-8785. ⟨10.1039/D4SC00611A⟩. ⟨hal-04775537⟩

• Article dans une revue

Chromium Oxide Species Supported on Silica: A Representative Periodic DFT Model

Hazar Guesmi, Frederik Tielens

The Cr/SiO2 system is investigated using periodic DFT. The model represents the amorphous character of the silica surface and allows the investigation of the effect of hydration on the Cr(VI) monomers. First, the geometry and energetics are discussed and compared with experimental data. The phase…

Journal of Physical Chemistry C, 2011, 116, pp.994-1001. ⟨10.1021/jp209680r⟩. ⟨hal-00690824⟩

• Article dans une revue

Effect of the activation temperature on the state of gold supported on titania: An FT-IR spectroscopic study

Tz. Venkov, Katia Fajerwerg, L. Delannoy, Hr. Klimev, K. Hadjiivanov, C. Louis

The effect of the pre-treatment conditions on the evolution of gold species on an Au/TiO2 sample prepared by deposition–precipitation with urea has been followed by FT-IR spectroscopy of adsorbed CO. Gold is in the form of Au3+ species on the as-prepared sample and is not affected by evacuation at…

Applied Catalysis A : General, 2006, 301 (1), pp.106-114. ⟨10.1016/j.apcata.2005.11.019⟩. ⟨hal-03663503⟩

• Article dans une revue

On the Comprehensive Precipitation of Hydroxyapatites Unraveled by a Combined Kinetic–Thermodynamic Approach

Corentin Reynaud, Cyril Thomas, Guylène Costentin

The present study combines experimental and theoretical approaches to investigate the competitive precipitation of calcium phosphates (CaPs) in aqueous solution in order to understand and control both the structural and textural properties of the synthesized hydroxyapatites (HAps). Some of the…

Inorganic Chemistry, 2022, 61 (7), pp.3296-3308. ⟨10.1021/acs.inorgchem.1c03884⟩. ⟨hal-03584442⟩

• Article dans une revue

Fluorescent silica MCM-41 nanoparticles based on flavonoids: Direct post-doping encapsulation and spectral characterization

Anton Landström, Silvia Leccese, Hagop Abadian, Jean-François Lambert, Isabella Concina, Stefano Protti, Ari Paavo Seitsonen, Alberto Mezzetti

Flavones and flavonols are naturally-occurring organic molecules with interesting biological, chemical and photophysical properties. In recent years their interaction with silica surfaces has received increasing attention. In this work, the flavonol 3-hydroxyflavone (3HF) and the flavone 7-…

Dyes and Pigments, 2021, 185, pp.108870 -. ⟨10.1016/j.dyepig.2020.108870⟩. ⟨hal-03493406⟩