• 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

EXAFS spectroscopy as a tool to probe metal–support interaction and surface molecular structures in oxide-supported catalysts: application to Al2O3-supported Ni(ii) complexes and ZrO2-supported tungstates

Xavier Carrier, Eric Marceau, Hugo Carabineiro, Vicente Rodríguez-González, Michel Che

EXAFS spectroscopy is shown as a tool of prime importance to probe the formation of metal–oxygen–support bonds and unravel the surface molecular structure in oxide-supported systems through two examples: (i) a molecular metal complex (Ni(II) bisglycinate) characterized after impregnation and drying…

Physical Chemistry Chemical Physics, 2009, 11, pp.7527-7539 ⟨10.1039/b822969d⟩. ⟨hal-01496028⟩

• Thèse

Molecular mechanism of barnacle adhesion : a structural approach and underlying biochemistry, Mécanisme moléculaire de l'adhésion des balanes : approche structurale et biochimie sous-jacente

Sunyoung Hur

Barnacles adhere themselves robustly and permanently to diverse underwater substrates through strong interactions of a multi-protein complex layer called the “cement”. However, the intermolecular interactions responsible for the strong adhesive properties of the barnacle cement remains poorly…, Les balanes adhèrent de manière robuste et permanente à divers substrats sous-marins grâce à de fortes interactions d’une couche complexe multiprotéique appelée « ciment ». Cependant, les interactions intermoléculaires responsables des fortes propriétés adhésives du ciment de bernacle restent mal…

Material chemistry. Sorbonne Université; Nanyang Technological University (Singapour), 2022. English. ⟨NNT : 2022SORUS572⟩. ⟨tel-04318937⟩

• Article dans une revue

Polyethylene glycol Gold-Nanoparticles: Facile Nanostructuration of Doxorubicin and its complex with DNA molecules for SERS detection

Jolanda Spadavecchia, Ramesh Perumal, Sandra Casale, Jean-Marc Krafft, Christophe Methivier, Claire-Marie Pradier

We report the synthesis of dicarboxylic acid-terminated polyethylene-glycol (PEG)-gold nanoparticles by a simple one-step method, and their further use to form nanostructured surfaces for biomolecule immobilization. The synthesized nano-scale particles were conjugated with probe/target…

Chemical Physics Letters, 2016, 648, pp.182-188. ⟨10.1016/j.cplett.2015.08.038⟩. ⟨hal-01196383⟩

• Article dans une revue

DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

Dominique Costa, Asma Tougerti, Frederik Tielens, Christel Gervais, Lorenzo Stievano, Jean-François Lambert

Physical Chemistry Chemical Physics, 2008, 10 (42), pp.6360-6368. ⟨10.1039/B806501B⟩. ⟨hal-00799212⟩

• Article dans une revue

Properties, fabrication and applications of plasmonic semiconductor nanocrystals

Haibo Yin, Yasutaka Kuwahara, Kohsuke Mori, Catherine Louis, Hiromi Yamashita

We highlight three widely explored oxide-based plasmonic materials, including H x MoO 3−y , H x WO 3−y , and Mo x W 1−x O 3−y , and their applications in catalysis.

Catalysis Science & Technology, 2020, 10 (13), pp.4141-4163. ⟨10.1039/c9cy02511a⟩. ⟨hal-03995338⟩

• Communication dans un congrès

Influence de la nature réductible du support sur la cinétique d'oxydation de CO par O2 pour des catalyseurs supportés à base de Rhd+ : SnO2 versus Ce0.68Zr0.32O2

Céline Fontaine-Gautrelet, Gérald Djéga-Mariadassou, Cyril Thomas

Congrès du GECat 2006, 2006, Mittelwihr, France. ⟨hal-00079984⟩

• Article dans une revue

Conversion of xylene over mordenites: an operando infrared spectroscopy study of the effect of Na⁺

Olivier Marie, Frédéric Thibault-Starzyk, Pascale Massiani

A series of progressively proton-exchanged sodium mordenite samples was studied by operando infrared spectroscopy during xylene conversion. This unique, powerful tool allowed us to characterize the species adsorbed to the surface during catalysis and to follow the evolution of the active sites as…

• Article dans une revue

How to determine IR molar absorption coefficients of co-adsorbed species? Application to methanol adsorption for quantification of MgO basic sites

Béatrice Moulin, Laetitia Oliviero, Philippe Bazin, Marco Daturi, Guylène Costentin, Françoise Maugé

Methanol adsorption on MgO samples with different morphologies is studied by infrared (IR) spectroscopy coupled to volumetry or thermogravimetry measurements to probe qualitatively and quantitatively the acid-base paired sites. The molar absorption coefficients of [small nu](OC) vibration of non-…

Physical Chemistry Chemical Physics, 2011, 13 (22), pp.10797-10807. ⟨10.1039/C0CP02767G⟩. ⟨hal-00639308⟩

• Article dans une revue

Highly active poly(3-hexylthiophene) nanostructures for photocatalysis under solar light

Dita Floresyona, Fabrice Goubard, Pierre-Henri Aubert, Isabelle Lampre, Jeremie Mathurin, Alexandre Dazzi, Srabanti Ghosh, Patricia Beaunier, Francois Brisset, Samy Remita, Laurence Ramos, Hynd Remita

Conjugated polymer nanostructures have recently emerged as a new class of very active photocatalysts under solar light. Poly(3-hexylthiophene) (P3HT) is one of the commonly used conjugated polymers for photovoltaics applications. P3HT nanostructures synthesized in soft templates provided by…

Applied Catalysis B: Environmental, 2017, 209, pp.23-32. ⟨10.1016/j.apcatb.2017.02.069⟩. ⟨hal-01553454⟩