• Article dans une revue

Combined ATR-FTIR and DFT Study of Cyclohexanone Adsorption on Hydrated TiO2 Anatase Surfaces

Ana Rita Almeida, Monica Calatayud, Frederik Tielens, Jacob A. Moulijn, Guido Mul

The adsorption of cyclohexanone on different planes ((100), (101), and (001)) of anatase TiO2, with variable level of hydration, was evaluated by density functional theory (DFT) calculations. Surface hydration was found to affect the cyclohexanone adsorption enthalpy and the calculated infrared…

Journal of Physical Chemistry C, 2011, 115, pp.14164. ⟨10.1021/jp1122129⟩. ⟨hal-00676618⟩

• Communication dans un congrès

Kinetic modeling of carbon dioxide valorization with epoxides

Viviana Contreras Moreno, Alain Ledoux, Lionel Estel, Rabah Azzouz, Vincent Levacher, Laurent Bischoff, Salim Derrouiche

International Congress on Green Process Engineering (GPE, 5, 2016), Jun 2016, Mont-Tremblant, Canada. ⟨hal-02389135⟩

• Article dans une revue

Detection of hydrogen peroxide using dioxazaborocanes: elucidation of the sensing mechanism at the molecular level by NMR and XPS measurements

Thomas Caron, Pascal Palmas, Céline Frénois, Christophe Méthivier, Eric Pasquinet, Claire-Marie Pradier, Françoise Serein-Spirau, Lionel Hairault, Pierre Montméat

A fluorescent dioxazaborocane was synthesised and characterized, in order to study its turn-off sensing process for hydrogen peroxide detection. The exposure of the dioxazaborocane to diluted vapours of H2O2 led to a strong non reversible quenching of the fluorescence. Both NMR and XPS analyses…

New Journal of Chemistry, 2020, 44 (10), pp.4114-4121. ⟨10.1039/d0nj00038h⟩. ⟨hal-02538454⟩

• Communication dans un congrès

Novel insights on H2S and COS removal for gas purification applications

David Chiche, Laure Neveux, Vincent Girard, Taha Hlayhel, Karin Barthelet, Javier Pérez-Pellitero, Arnaud Baudot, Delphine Bazer-Bachi, Anne-Sophie Gay, Schweitzer Jean-Marc, Loïc Favergeon, Michèle Pijolat, Christophe Geantet, Guylene Costentin

H₂S and COS are well-known gaseous pollutants encountered in many applications. Synthetic fuels produced from thermochemical routes (Fisher-Tropsch based XTL processes) or IGCC technologies for cleaner power production are among the applications for which the removal of H<…

10th World Congress of Chemical Engineering- WCCE10, Anque; Enginyers Industrials de catalunya; SEQUI A; A IQS, Oct 2017, Barcelone, Spain. pp.363. ⟨hal-01895542⟩

• Article dans une revue

Fluidized bed plasmas reactor for catalyst synthesis and pretreatment. Application for pollution abatement in stationary and mobile sources

Marjorie Foix, Cedric Guyon, Michael Tatoulian, Patrick da Costa

The prepn. of automotive catalysts and com. oxidn. catalysts in stationary sources use a large amt. of noble metal precursors. Moreover, during their prepn. high energy (gas and temp.) is necessary for treatment processes. In order to develop a higher sustainable process, the plasma-assisted…

Advanced Materials Research, 2010, 89-91 (THERMEC 2009 Supplement), pp.118-123. ⟨10.4028/www.scientific.net/AMR.89-91.118⟩. ⟨hal-00604715⟩

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Comment on “Direct Decomposition of NO x over TiO 2 Supported Transition Metal Oxides at Low Temperatures”

Josefine Schnee, Laurent Delannoy, Guylène Costentin, Frédéric Meunier, Cyril Thomas

In a recent paper entitled "Direct decomposition of NO x over TiO 2 supported transition metal oxides at low temperatures", 1 Damma et al. report highly promising results on the catalytic direct decomposition of NO to N 2 and O 2 at temperatures as low as 100 °C, with excellent tolerance…

Industrial and engineering chemistry research, 2020, 59, pp.4835-4837. ⟨10.1021/acs.iecr.0c00412⟩. ⟨hal-02504389⟩

• Communication dans un congrès

Promoting Ru Electron Density by Basic Hydroxyapatite Supports for H2 Storage as NH3 under mild conditions

Sabrina Akrour, Alexandre Vimont, Guylène Costentin, Cyril Thomas

4th French Conference on Catalysis (FCCAT), May 2025, Ronces-les-Bains, France. ⟨hal-05657914⟩

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Influence of the Ticontent on the photocatalyticoxidation of 2-propanol and CO on TiSiBEA zeolites

Stanislaw Dzwigaj, Jean-Philippe Nogier, Michel Che, M. Saito, Takuya Hosokawa, Estelle Thouverez, Masay Matsuoka, M. Anpo

TixSiBEA (x = 1.5, 3.2 and 5.8 Ti wt.%) zeolites were prepared by a two-step postsynthesis method reported earlier (Chem. Commun. 1998, 87). Diffuse reflectance (DR) UV-vis and photoluminescence data suggest that mainly isolated tetrahedral framework Ti ions are present in Ti1.5SiBEA and Ti3.2SiBEA…

Catalysis Communications, 2012, 19, pp.17-20. ⟨10.1016/j.catcom.2011.12.010⟩. ⟨hal-00687271⟩

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Contribution to the understanding of the formation mechanism of bimodal mesoporous MCM41-type silica with large defect cavities

Claudia Bernal, Monica Mesa, Maguy Jaber, Jean-Louis Guth, Ligia Sierra

The formation mechanism of large defect cavities (∅ 11-23 nm) beside the MCM41 mesopores (∅ ∼ 2.3 nm), was studied from mixtures of sodium silicate, cetyl trimethyl ammonium bromide (CTAB) and ethyl acetate (EtAc) with the molar composition 1 SiO2; 1 Na2O; x CTAB; y EtAc: 237 H2O (with x = 0.33 or…

Microporous and Mesoporous Materials, 2011, 153, pp.217-226. ⟨10.1016/j.micromeso.2011.12.049⟩. ⟨hal-00688611⟩

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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⟩