• 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

Molybdenum oxide model catalysts and vanadium phosphates as actual catalysts for understanding heterogeneous catalytic partial oxidation reactions: A contribution by Jean-Claude Volta

Jacques C. Védrine, Graham J. Hutchings, Christopher J. Kiely

This review summarises and expands part of the work that Jean Claude Volta carried out during his scientific career at the Institut de Recherches sur la Catalyse (IRC), CNRS, University of Lyon in France. The first part deals with the structure sensitivity of molybdenum oxide (MoO3) for oxidation…

Catalysis Today, 2013, 217, pp.57-64. ⟨10.1016/j.cattod.2013.01.004⟩. ⟨hal-01121661⟩

• Article dans une revue

Highly active composite TiO2-polypyrrole nanostructures for water and air depollution under visible light irradiation

Xiaojiao Yuan, Marek Kobylanski, Zhenpeng Cui, Jian Li, Patricia Beaunier, Diana Dragoe, Christophe Colbeau-Justin, Adriana Zaleska-Medynska, Hynd Remita

Journal of Environmental Chemical Engineering, 2020, 8 (5), pp.104178. ⟨10.1016/j.jece.2020.104178⟩. ⟨hal-03437337⟩

• Article dans une revue

New route toward nanosized crystalline metal borides with tuneable stoichiometry and variable morphologies

Guillaume Gouget, Patricia Beaunier, David Portehault, Clément Sanchez

Herein we highlight for the first time the ability to tune the stoichiometry of metal boride nanocrystals through nanoparticle synthesis in thermally stable inorganic molten salts. Two metal-boron systems are chosen as case studies: boron-poor nickel borides and boron-rich yttrium borides. We show…

Faraday Discussions, 2016, 191, pp.511 - 525. ⟨10.1039/C6FD00053C⟩. ⟨hal-01440776⟩

• Article dans une revue

Identification of Surface Basic Sites and Acid–Base Pairs of Hydroxyapatite

Sarah Diallo-Garcia, Manel Ben Osman, Jean-Marc Krafft, Sandra Casale, Cyril Thomas, Jun Kubo, Guylène Costentin

The Lewis and Brønsted basic properties of a stoichiometric hydroxyapatite (HAp) were investigated by infrared spectroscopy following the adsorption and desorption processes of a Lewis acidic molecule, CO2, and a Brønsted acidic molecule, C2H2. CO2 interacts with basic OH– and O2– of PO43– groups…

Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 2014, 118 (24), pp.12744-12757. ⟨10.1021/jp500469x⟩. ⟨hal-01120667⟩

• 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⟩

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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⟩

• Article dans une revue

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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Sulfamide chemistry applied to the functionalization of self-assembled monolayers on gold surfaces

Loïc Pantaine, Vincent Humblot, Vincent Coeffard, Anne Vallée

Aniline-terminated self-assembled monolayers (SAMs) on gold surfaces have successfully reacted with ArSO 2 NHOSO 2 Ar (Ar = 4-MeC 6 H 4 or 4-FC 6 H 4) resulting in monolayers with sulfamide moieties and different end groups. Moreover, the sulfamide groups on the SAMs can be hydrolyzed showing the…

Beilstein Journal of Organic Chemistry, 2017, 13, pp.648-658. ⟨10.3762/bjoc.13.64⟩. ⟨hal-01518120⟩

• Thèse

Prebiotic Organization of Biomolecules on Mineral Surfaces, Organisation prébiotique de biomolécules sur des surfaces minérales

Hagop Abadian

This thesis reports on the adsorption of two amino acids (AA) with different properties, Leucine and Glutamic acid, on the amorphous silica surface. It exemplifies a general approach to hybrid systems that combines experimental information and molecular modeling in order to characterize at the…, Cette thèse porte sur l'adsorption de deux acides aminés aux propriétés différentes, la leucine et l'acide glutamique, sur la surface de la silice amorphe. Une combinaison d'informations expérimentales et de modélisation moléculaire a été entreprise afin de caractériser au niveau…

Material chemistry. Sorbonne Université, 2021. English. ⟨NNT : 2021SORUS035⟩. ⟨tel-03419620⟩