Laboratoire de réactivité de surface

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  • Article dans une revue

Effect of the preparation method and of the vanadium content on the physicochemical and surface properties of vanadium–magnesium-based catalysts for the selective oxidation of n -butane

Samira Slyemi, Juliette R Blanchard, Siham Barama, Akila Barama, Hassiba Messaoudi, Sandra Casale, Christophe Calers, Zaher Ihdene

Two series of V–Mg–O catalysts with vanadium contents of 30 and 60 wt % were synthesized using sol–gel (SG) and wet impregnation (IMP). The elaborated catalysts were characterized by X-ray diffraction, Fourier transform infrared, X-ray fluorescence, Brunauer–Emmett–Teller, NH3–temperature-…

Comptes Rendus. Chimie, 2017, 20 (11-12), pp.1062 - 1071. ⟨10.1016/j.crci.2017.08.002⟩. ⟨hal-01739904⟩

  • Article dans une revue

Crystalline Molybdenum Oxide Thin-Films for Application as Interfacial Layers in Optoelectronic Devices

André Luis Fernandes Cauduro, Roberto dos Reis, Gong Chen, Andreas K. Schmid, Christophe Méthivier, Horst-Günter Rubahn, Léo Bossard-Giannesini, Hervé Cruguel, Nadine Witkowski, Morten Madsen

The ability to control the interfacial properties in metal-oxide thin films through surface defect engineering is vital to fine tune their optoelectronic properties and thus their integration in novel optoelectronic devices. This is exemplified in photovoltaic devices based on organic, inorganic or…

ACS Applied Materials & Interfaces, 2017, 9 (8), pp.7717-7724. ⟨10.1021/acsami.6b14228⟩. ⟨hal-01464322⟩

  • Article dans une revue

Single-site and nano-confined photocatalysts designed in porous materials for environmental uses and solar fuels

Hiromi Yamashita, Kohsuke Mori, Yasutaka Kuwahara, Takashi Kamegawa, Meicheng Wen, Priyanka Verma, Michel Che

Silica-based micro-, meso-, macro-porous materials offer attractive routes for designing single-site photocatalysts, supporting semiconducting nanoparticles, anchoring light-responsive metal complexes, and encapsulating metal nanoparticles to drive photochemical reactions by taking advantage of…

Chemical Society Reviews, 2018, 47 (22), pp.8072-8096. ⟨10.1039/C8CS00341F⟩. ⟨hal-01959036⟩

  • Article dans une revue

Density Functional Theory Modeling and Calculation of NMR Parameters: An ab Initio Study of the Polymorphs of Bulk Glycine

Lorenzo Stievano, Frederik Tielens, Irene Lopes, Nicolas Folliet, Christel Gervais, Dominique Costa, Jean-Francois Lambert

The three forms of glycine in the solid state, α, β, and γ are described and modeled by means of generalized-gradient approxn. (GGA) ab initio calcns. In particular, the location of the protons in each structure is studied. The vibrational frequencies and the NMR chem. shifts of 1H, 13C, and 15N in…

Crystal Growth & Design, 2010, 10 (8), pp.3657-3667. ⟨10.1021/cg100525h⟩. ⟨hal-00604801⟩

  • Article dans une revue

Theoretical investigation of the inversion parameter in Co-3 (-) sAlsO4 (s=0-3) spinel structures

Frederik Tielens, M. Calatayud, R. Franco, J. M. Recio, J. Perez-Ramirez, C. Minot

The structural, energetic, and thermodynamic properties of the Co-3 (-) sAlsO4 (s = 0, 1, 2, and 3) crystal family are studied using periodic DFT calculations. We provide a quantitative discussion of the cation distribution effect on the cell parameter, the oxygen Wyckoff position, the interatomic…

Solid State Ionics, 2009, 180 (14-16), pp.1011-1016. ⟨10.1016/j.ssi.2009.03.023⟩. ⟨hal-01361360⟩

  • Article dans une revue

Gold Grafted to Mesoporous Silica Surfaces, a Molecular Picture

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

The adsorption of HAuCl(4), the typical precursor for gold grafting on metal oxide surfaces, is investigated on amorphous silica support. The adsorption of the precursor is investigated as a function of its chlorinated form, depending on the pH, using periodic DFT. The results are supported with…

Journal of Physical Chemistry C, 2009, 113 (31), pp.13855-13859. ⟨10.1021/jp9036815⟩. ⟨hal-01361364⟩

  • Article dans une revue

Elucidation of the low coverage chiral adsorption assembly of L-lysine on Cu(110) surface: A theoretical study

Frederik Tielens, Vincent Humblot, Claire-Marie Pradier

The adsorption of L-lysine on Cu(110) surface was studied using periodic DFT. The geometry is discussed in terms of the molecular electrostatic interactions, and electronic properties such as DOS. An STM image was simulated and compared with our recently obtained experimental results. Compelling…

Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2008, 602 (5), pp.1032-1039. ⟨10.1016/j.susc.2007.12.033⟩. ⟨hal-01361368⟩

  • Article dans une revue

Leucine on Silica: A Combined Experimental and Modeling Study of a System Relevant for Origins of Life, and the Role of Water Coadsorption

Hagop Abadian, Pauline Cornette, Dominique Costa, Alberto Mezzetti, Christel Gervais, Jean-François Lambert

Leucine on silica constitutes an interesting system from the point of view of origins of life studies since leucine coadsorbed on SiO2 together with glutamic acid can give rise to rather long linear polypeptides upon activation. It is also an ideal system to test methods of molecular…

Langmuir, 2022, 38 (26), pp.8038-8053. ⟨10.1021/acs.langmuir.2c00841⟩. ⟨hal-03857982⟩

  • Article dans une revue

Production and Characterization of Activated Carbon from Orange Peels by Chemical Activation with Sulfuric Acid

Sami Guiza, Salwa Hajyahia, Franck Launay, Mohamed Bagane

Oranges represent 75% of the total citrus fruits (Guiza in Ecol Eng, 99: 134–140, 2017) throughout the world, and Tunisia is one of the major juice producers. Orange peels could cause a significant disposal problem but they are also valuable biomass wastes (Valdes et al. in Langmuir 18: 2111–2116,…

Recent advances in environmental science from the Euro Mediterranean and surrounding regions, 2018, Advances in Science, Technology & Innovation, pp.959-961. ⟨10.1007/978-3-319-70548-4_278⟩. ⟨hal-04020437⟩

  • Article dans une revue

Photoelectrochemical properties of ZnS- and CdS-TiO 2 nanostructured photocatalysts: Aqueous sulfidation as a smart route to improve catalyst stability

Samiha Chaguetmi, Larissa Chaperman, Sophie Nowak, Delphine Schaming, Stephanie Lau-Truong, Philippe Decorse, Patricia Beaunier, Cyrille Costentin, Fayna Mammeri, Slimane Achour, Souad Ammar

ZnS- and CdS-TiO2 hetero-nanostructures were synthesized by impregnation of polyol-made ZnS, CdS quantum dots (QDs) on the surface of TiO2 nanofibers that were grown on Ti sheets by controlled corrosion. Due to their finite size, the grafted QDs were partly oxidized, when air exposed, reducing…

Journal of Photochemistry and Photobiology A: Chemistry, 2018, 356, pp.489 - 501. ⟨10.1016/j.jphotochem.2018.01.038⟩. ⟨hal-01741065⟩