• Thèse

Synthèse et fonctionnalisation de nanobâtonnets d’or enrobés de silice AuNR@SiO2 pour des applications aux biointerfaces, Synthesis and functionalization of silica coated gold nanorod AuNR@SiO2 for biointerfaces applications

Vincent Pellas

Les nanobâtonnets d’or sont des particules plasmoniques présentant des propriétés optiques intéressantes. En particulier, la résonance plasmonique de surface localisée (LSPR) sensible à l’environnement local des particules, permet leur utilisation comme transducteurs de phénomènes d’interactions…, Gold nanorods are plasmonic nanoparticles with interesting optical properties. In particular, the localized surface plasmon resonance (LSPR), sensitive to the local environment of the particles, allows their use as transducers of molecular interaction phenomena. This property makes those…

Matériaux. Sorbonne Université, 2021. Français. ⟨NNT : 2021SORUS057⟩. ⟨tel-04101956⟩

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Origins of Life and Molecular Information: Selectivity in Mineral Surface-Induced Prebiotic Amino Acid Polymerization

Lise Bedoin, Sandra Alves, Jean-François Lambert

ACS Earth and Space Chemistry, 2020, acsearthspacechem.0c00183. ⟨10.1021/acsearthspacechem.0c00183⟩. ⟨hal-03133031⟩

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Characterization of Supported Vanadium Oxide Species on Silica: A Periodic DFT Investigation

Mazharul M. Islam, Dominique Costa, Monica Calatayud, Frederik Tielens

The geometry, energetic, and spectroscopic properties of molecular structures of silica-supported vanadium oxide catalysts are studied using periodic density functional calculations. Isolated vanadia units deposed on amorphous silica are modeled at low coverage, 0.44 atoms nm(-2). The models are…

Journal of Physical Chemistry C, 2009, 113 (24), pp.10740-10746. ⟨10.1021/jp902818m⟩. ⟨hal-01361362⟩

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Exploring the reactivity of mixed omega-functionalized undecanethiol self-assembled monolayers - A DFT study

Frederik Tielens, Vincent Humblot, Claire-Marie Pradier

The reactive sites of self-assembled monolayers (SAM) formed by substituted thiolalkyl chains have been predicted in the case of the pure mercaptoundecane acid, for the pure mercaptoundecane alcohol, and the mixed 1:1 SAMs. The differences in reactivity between the different SAM domains (pure and…

International Journal of Quantum Chemistry, 2008, 108 (10), pp.1792-1795. ⟨10.1002/qua.21600⟩. ⟨hal-01361371⟩

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Cysteine-montmorillonite composites for heavy metal cation complexation: A combined experimental and theoretical study

Khaled El Adraa, Thomas Georgelin, Jean-François Lambert, Farouk Jaber, Frederik Tielens, Maguy Jaber

Green composites based on montmorillonite (Mt) and cysteine, were prepared for heavy metal removal. A comparison between the adsorption properties of the resulting hybrid inorganic-organic materials and the pure montmorillonite was carried out for the following heavy metal cations Cd2+, Hg2+, Pb2…

Chemical Engineering Journal, 2017, 314, pp.406 - 417. ⟨10.1016/j.cej.2016.11.160⟩. ⟨hal-01490419⟩

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Structure of clean and hydrated alpha-Al2O3 (1(1)over-bar02) surfaces: implication on surface charge

Asma Tougerti, Christophe Methivier, Sylvain Cristol, Frederik Tielens, Michel Che, Xavier Carrier

Periodic DFT calculations coupled to a first-principle thermodynamic approach have allowed us to establish a surface phase diagram for the different terminations of the alpha-Al2O3 (1 (1) over bar 02) surface in various temperature and water pressure conditions. Theoretical results are compared…

Physical Chemistry Chemical Physics, 2011, 13 (14), pp.6531-6543. ⟨10.1039/c0cp01295e⟩. ⟨hal-00602953⟩

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IR Operando Study of the Acetylene Effect on the NO Reduction Mechanism on Pd–Rh/CeO2–ZrO2 Three-Way Catalyst

T. Onfroy, O. Marie

The impact of acetylene on the NO reduction mechanism was investigated on a Pd–Rh/CeO2–ZrO2 catalyst. Temperature Program Reaction revealed that C2H2 has a detrimental effect on NO reduction by both H2 and CO. Stationary regime perturbed by C2H2 pulse at different temperatures showed that surface…

Topics in Catalysis, 2019, 62, pp.336-344. ⟨10.1007/s11244-018-1092-1⟩. ⟨hal-02019086⟩

• Communication dans un congrès

Visualization of localized deformation and fluid flow in sedimentary rocks

Jeroen van Stappen, Maartje Houben, Timotheus K.T. Wolterbeek, Alessandro Tengattini, Takahiro Shinohara, Floris S.R. Teuling, Miao Zhang, Christopher Spiers, Suzanne J.T. Hangx

<p>Subsurface activities, such as energy production or geo-storage, affect the natural equilibrium of the reservoir and surrounding geological system. Fluid production from porous sandstones, for example, is often associated with reservoir compaction and induced seismicity, such as…

23rd EGU General Assembly, May 2020, Online, France. ⟨10.5194/egusphere-egu2020-5293⟩. ⟨hal-04936365⟩

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Operando X‐ray Absorption Study of TiO₂‐supported Au, Cu, and Au–Cu Catalysts for Butadiene Selective Hydrogenation

Abdallah Nassereddine, Laurent Delannoy, Xavier Carrier, Catherine Louis, Camille La Fontaine, Anthony Beauvois, Jaysen Nelayah, Axel Wilson

The selective hydrogenation of unsaturated hydrocarbons is essential for the production of alkenes used in polymerization processes. Au‐based catalysts offer greater selectivity than Pd but are limited by poor hydrogen activation. Alloying Au with Cu offers a promising approach to enhance catalytic…

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Influence of the Ageing and Drying Steps of a CoMoP/γ‐Al2O3 Catalyst onto the Multi‐Scale Molybdenum Active Phase Organization

Candice Cottrez, Séverine Humbert, Anne‐sophie Gay, Elodie Devers, Frédéric de Geuser, Xavier Carrier, Alexandra Chaumonnot

To study the influence of ageing and drying steps onto the multiscale Mo active phase arrangement (i. e. MoS2 slabs and slab aggregates), a series of highly loaded CoMoP/γ-Al2O3 catalysts aged, unaged, dried or freeze-dried were prepared and tested in toluene hydrogenation. Electron Probe Micro…

ChemCatChem, 2023, 15 (6), pp.e202201432. ⟨10.1002/cctc.202201432⟩. ⟨hal-04179985⟩