• Article dans une revue

Unravelling the enhanced reactivity of bulk CeO2 doped with gallium: A periodic DFT study

Paola Quaino, Olga Syzgantseva, Luca Siffert, Frederik Tielens, Christian Minot, Monica Calatayud

Doping CeO2 with gallium leads to promising materials with application in hydrogen purification processes for fuel cells. The bulk ceria-gallia is investigated by ab initio calculations. The outstanding reactivity is explained by important relaxations induced by gallium in the ceria host, having a…

Chemical Physics Letters, 2011, 519-520, pp.69-72. ⟨10.1016/j.cplett.2011.11.022⟩. ⟨hal-00690790⟩

• Article dans une revue

Influence of the pretreatment conditions on the performances of CeO2-supported gold catalysts in the Catalytic Wet Air Oxidation of carboxylic acids

Ngoc D. Tran, Michèle Besson, Claude Descorme, Katia Fajerwerg, Catherine Louis

Two series of ceria-supported gold catalysts (1 and 4 wt.% Au) were prepared by deposition-precipitation with urea. Depending on the gold loading, the pretreatment of the Au/CeO2 catalysts (calcination in air vs. reduction in hydrogen) had a great influence on the oxidation state of gold, and in…

Catalysis Communications, 2011, 16, pp.98-102. ⟨10.1016/j.catcom.2011.09.014⟩. ⟨hal-00666922⟩

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Selective Modification of the Acid-Base Properties of Ceria by Supported Au

Manuela C.I. Bezen, Cornelia Breitkopf, Nadia El Kolli, Jean-Marc Krafft, Catherine Louis, J.A. Lercher

Au supported on CeO2 prepared by deposition-precipitation with urea leads to a basic catalyst. Au acts in two ways as surface modifier. First, Au selectively interacts with Ce4+ cations by either blocking access to or reducing Ce4+ to Ce3+. Second, the resulting Au atoms (presumably as Au+ ions)…

Chemistry - A European Journal, 2011, 17 (25), pp.7095-7104. ⟨10.1002/chem.201002011⟩. ⟨hal-00666903⟩

• Article dans une revue

Comparison of competition between T = O and T-OH groups in vanadium, niobium, tantalum BEA zeolite and SOD based zeolites

Anna Wojtszek, Maria Zioleck, Stanislaw Dzwigaj, Frederik Tielens

The investigation of intra framework substitution of Si by group V transition metals (V, Nb, Ta) is an important strategy to modify or to tune the catalytic properties of zeolites. Theoretically one of the limitations is the size of the zeolite unit cell. In this study the energy and geometry of…

Chemical Physics Letters, 2011, 514, pp.70-73. ⟨10.1016/j.cplett.2011.08.005⟩. ⟨hal-00666258⟩

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DFT study of the M segregation on MAu alloys (M = Ni, Pd, Pt) in presence of adsorbed oxygen O and O2

Adnene Dhouib, Hazar Guesmi

Segregation phenomena of group 10 (M = Ni, Pd, Pt) transition-metals substituted in Au (1 1 1) surface and sub-surface layers are investigated by DFT periodic calculations in presence of adsorbed atomic and molecular oxygen. In contrast with vacuum conditions, where the metal impurities M prefer to…

Chemical Physics Letters, 2011, 521, pp.98-103. ⟨10.1016/j.cplett.2011.11.050⟩. ⟨hal-00690803⟩

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Insight into the Nature of the ZnO x Promoter during Methanol Synthesis

Remco Dalebout, Laura Barberis, Giorgio Totarella, Savannah Turner, Camille La Fontaine, Frank de Groot, Xavier Carrier, Ad van der Eerden, Florian Meirer, Petra de Jongh

Despite the great commercial relevance of zinc-promoted copper catalysts for methanol synthesis, the nature of the Cu–ZnOx synergy and the nature of the active Zn-based promoter species under industrially relevant conditions are still a topic of vivid debate. Detailed characterization of the…

ACS Catalysis, 2022, 12 (11), pp.6628-6639. ⟨10.1021/acscatal.1c05101⟩. ⟨hal-04030259⟩

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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⟩

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Impedance Analysis of Electrochemical Systems

Vincent Vivier, Mark Orazem

Chemical Reviews, 2022, 122 (12), pp.11131-11168. ⟨10.1021/acs.chemrev.1c00876⟩. ⟨hal-03868708⟩

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Synergetic effect of Ni and Au nanoparticles synthesized on titania particles for efficient photocatalytic hydrogen production

Ana L. Luna, Ekaterina Novoseltceva, Essyllt Louarn, Patricia Beaunier, Ewa Kowalska, Bunsho Ohtani, Miguel A. Valenzuela, Hynd Remita, Christophe Colbeau-Justin

Au and/or Ni nanoparticles were synthesized by radiolysis on TiO2 (commercial P25) at various composition (metal content). The modified photocatalysts were characterized by High Resolution Transmission Microscopy (HRTEM), Energy-Dispersive X-ray Spectroscopy (EDS), UV–vis Diffuse Reflectance…

Applied Catalysis B: Environmental, 2016, 191, pp.18 - 28. ⟨10.1016/j.apcatb.2016.03.008⟩. ⟨hal-01548348⟩

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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⟩