• 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⟩

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Controlling Magnesium Silicates Coprecipitation Conditions: A Tool to Tune Their Surface Acid–Base Reactivity

François Payan, Albert Issa, Jean-Marc Krafft, Yannick Millot, Thomas Onfroy, Capucine Sassoye, Jean-François Hochepied, Guillaume Laugel, Hélène Lauron-Pernot

Magnesium silicates combining acidic and basic surface properties are known to be interesting as heterogeneous catalysts. Nevertheless, their catalytic performances are highly dependent on the synthesis method used. In this study, a series of magnesium silicates was synthesized for the first time…

Catalysts, 2023, 13 (11), pp.1393. ⟨10.3390/catal13111393⟩. ⟨hal-04391661⟩

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Esterification of fatty acids with alcohols over niobium phosphate

Iria A.L. Bassan, Danielle R. Nascimento, Rosane A.S. San Gil, M.I. Pais da Silva, Carla R. Moreira, Wilma A. Gonzalez, Arnaldo C. Faro, T. Onfroy, Elizabeth R. Lachter

The aim of this study is the evaluation of niobium catalysts (niobic acid, niobium phosphate) in the esterification reactions of fatty acids (C12-C18) with alcohols (methanol, ethanol, butanol). The catalysts were characterized by different techniques (N2 adsorption/desorption, XRD, FTIR, FTIR of…

Fuel Processing Technology, 2013, 106, pp.619-624. ⟨10.1016/j.fuproc.2012.09.054⟩. ⟨hal-00812688⟩

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Dimerization of Uracil in a simulated Mars-like UV radiation environment

Laura Rouquette, Fabien Stalport, Hervé Cottin, Cyril Colas, Thomas Georgelin, Naïla Chaouche-Mechidal, Jerome Lasne, Sara Mahfouf, Franćois Raulin, Laura Selliez, Cyril Szopa, Patrice Coll

The search for organic molecules at the surface of Mars is a key objective in astrobiology, given that many organic compounds are possible biosignatures and their presence is of interest with regard to the habitability of Mars. Current environmental conditions at the martian surface are harsh and…

Astrobiology, 2020, 20 (11), pp.1363-1376. ⟨10.1089/ast.2019.2157⟩. ⟨hal-03032302⟩

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High-Current-Density CO2-to-CO Electroreduction on Ag-Alloyed Zn Dendrites at Elevated Pressure

Sarah Lamaison, David Wakerley, Juliette Blanchard, David Montero, Gwenaelle Rousse, Dimitri Mercier, Philippe Marcus, Dario Taverna, Domitille Giaume, Victor Mougel, Marc Fontecave

High-surface-area Ag-Zn-alloyed electrodes undertake the rapid conversion of CO 2 to CO. This has the combined benefit of removing CO 2 and producing an industrially relevant chemical synthon. At atmospheric pressure, the electrodes plateau in activity owing to the mass-transport limitation of CO 2…

Joule, 2020, 4 (2), pp.395-406. ⟨10.1016/j.joule.2019.11.014⟩. ⟨hal-02919030⟩

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Nanostructured Nickel Aluminate as a Key Intermediate for the Production of Highly Dispersed and Stable Nickel Nanoparticles Supported within Mesoporous Alumina for Dry Reforming of Methane

Leila Karam, Julien Reboul, Nissrine El Hassan, Jaysen Nelayah, Pascale Massiani

Molecules, 2019, 24 (22), pp.4107. ⟨10.3390/molecules24224107⟩. ⟨hal-03054098⟩

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Simultaneous removal of microorganisms and ethyl acetate from fruit storage indoor air using a low-cost photoreactor based on luminous textiles

Sarra Karoui, Amine Aymen Assadi, Amina Meslem, Bouzaza Abdelkrim

Escherichia coli ( E. coli), ), Salmonella typhimurium ( S. typhimurium), ), Listeria monocytogenes (L. monocytogenes), and Cladosporium cladosporioides (C. C. cladosporioides), ), as microorganisms, and ethyl acetate (EA), as a volatile organic compound, were chosen as target pollutants to be…

Food Bioscience, 2024, 61, pp.104771. ⟨10.1016/j.fbio.2024.104771⟩. ⟨hal-04699894⟩

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Ni/CeO2 Nanoparticles Promoted by Yttrium Doping as Catalysts for CO2 Methanation

Valeria La Parola, Chao Sun, Patricia Beaunier, Leonarda F Liotta, Patrick da Costa

Ni (5 wt.%) catalysts over yttrium modified CeO2 oxides synthesized by hydrothermal method were prepared. For comparison Ni was supported over pure CeO2 and Y2O3. Characterizations by N2 adsorption/desorption, XRD, XPS, TEM/HRTEM, H2-TPR, CO2-TPD and TGA were carried out. The catalytic performance…

ACS Applied Nano Materials, 2020, 3 (12), pp.12355-12368. ⟨10.1021/acsanm.0c02841⟩. ⟨hal-03146777⟩

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Optimization of Synthesis Conditions of Ni/SBA-15 Catalysts: Confined Nanoparticles and Improved Stability in Dry Reforming of Methane

Nissrine El Hassan, Marie-Nour Kaydouh, Nissrine El, Anne Davidson, Pascale Massiani

Despite its economic and environmental advantages, the dry reforming of methane using supported Ni-based catalysts remains challenging due to problems of metal particle sintering and carbon deposition, which lead to loss in catalytic activity. In this study, different silica supports, containing 5…

Catalysts, 2020, 11 (1), pp.44. ⟨10.3390/catal11010044⟩. ⟨hal-03146326⟩

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Characterization of omega-functionalized undecanethiol mixed self-assembled monolayers on Au(111): A combined polarization modulation infrared reflection-absorption spectroscopy/X-ray photoelectron spectroscopy/periodic density functional theory study

Frederik Tielens, Dominique Costa, Vincent Humblot, Claire-Marie Pradier

The structure of undecanethiol self-assembled monolayers (SAMs) on Au(111) with -COOH and -OH tail groups has been characterized by combining experimental and theoretical techniques. The pure and mixed 1:1 SAMs were investigated. It was found using polarization modulation infrared reflection-…

Journal of Physical Chemistry C, 2008, 112 (1), pp.182-190. ⟨10.1021/jp074023c⟩. ⟨hal-01361366⟩