Selective Carbon Deposition on γ-Alumina Acid Sites: toward the Design of Catalyst Supports with Improved Hydrothermal Stability in Aqueous Media.

γ-Alumina, a widely used industrial catalyst support, undergoes irreversible transformation into various aluminum hydroxides under hydrothermal (HT) conditions, resulting in strong modification of its intrinsic properties. Most of the strategies that have been proposed to prevent or at least minimize its transformation into oxy-hydroxides consist in covering the alumina surface with a hydrophobic carbon layer, making it less sensitive to modifications induced by water. However, such methods necessitate high carbon contents, which significantly modifies structural and chemical properties of alumina.

Hydrogenation Size-Selective Pt/Hollow Beta Catalysts.

The aim of the present work is to synthesize a zeolite-based catalyst with a hollow morphology and highly dispersed metal nanoparticles (NPs) encapsulated inside the zeolite micropores. For this purpose, we have studied a treatment using tetraalkylammonium (TAA) bromides for the selective removal of a large Pt particle from the outer surface of a hollow Beta zeolite. TEM analysis reveals that we succeeded in the synthesis of a hollow beta zeolite single crystal with encapsulated particles, with a high dispersion of 50-60 %.

The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study.

The condensation reactions between Ge(OH)4 and Si(OH)4 units in solution are studied to understand the mechanism and stable species during the initial steps of the formation process of Ge containing zeolites under basic conditions. The free energy of formation of (OH)3Ge-O-Ge-(OH)2O(-), (OH)3Si-O-Si-(OH)2O(-), (OH)3Ge-O-Si-(OH)2O(-) and (OH)3Si-O-Ge-(OH)2O(-) dimers is calculated with ab initio molecular dynamics and thermodynamic integration, including an explicit description of the water solvent molecules. Calculations show that the attack of the conjugated base (Ge(OH)3O(-) and Si(OH)3O(-)) proceeds with a smaller barrier at the Ge center.

Durable PROX catalyst based on gold nanoparticles and hydrophobic silica.

3 nm gold nanoparticles obtained by direct chemical reduction of AuPPh3Cl in the presence of hydrophobic silica are highly active and selective over a prolonged period of time in the low temperature oxidation of CO in the presence of hydrogen.

Synthesis, characterization and optical properties of an amino-functionalized gold thiolate cluster: Au10(SPh-pNH2)10.

Research interest in ultra small gold thiolate clusters has been rising in recent years for the challenges they offer to bring together properties of nanoscience and well-defined materials from molecular chemistry. Here, a new atomically well-defined Au10 gold nanocluster surrounded by ten 4-aminothiophenolate ligands is reported. Its synthesis followed the similar conditions reported for the elaboration of Au144(SR)60, but because the reactivity of thiophenol ligands is different from alkanethiol derivates, smaller Au10 clusters were formed.

Size-selective hydrogenation at the subnanometer scale over platinum nanoparticles encapsulated in silicalite-1 single crystal hollow shells.

Highly controlled "ship-in-a-bottle" platinum nanoparticles in silicalite-1 hollow single crystals have been prepared. This catalyst is highly active for toluene hydrogenation but shows no activity for the hydrogenation of 1,3,5-trimethylbenzene.

Quasi all-silica zeolite obtained by isomorphous degermanation of an as-made germanium-containing precursor.

Ge-containing ITQ-22 zeolites have been almost completely degermanated under strong acidic conditions without modifications of the framework topology. Simultaneous to Ge extraction, the framework was partially dissolved; mesopores were formed but the structure was maintained through the re-incorporation of some of silicon species at vacant sites. The presence of many defects in the degermanated framework enabled the incorporation of tetrahedral aluminum, opening the way to the preparation of new and stable acid catalysts with original topologies.

Ultimate size control of encapsulated gold nanoparticles.

We report an original and scalable synthesis pathway to produce encapsulated gold nanoparticles. Precise control of the gold particles is achieved in the range of 1-10 nm through the impregnation of silicalite-1 with a controlled concentration of gold solution, followed by dissolution-recrystallization of the zeolite.

Functionalized gold magic clusters: Au25(SPhNH2)17.

New Au(25) nanoclusters stabilized by heterotopic 4-aminothiophenolate ligands (HSPhNH(2)) have been isolated with a yield of ~70%. The nanoclusters formula determined by ESI-MS is Au(25)(SPhNH(2))(17), with the 18(th) position occupied by an amine or DMF molecules to close their electronic shell.

Aerobic methylcyclohexane-promoted epoxidation of stilbene over gold nanoparticles supported on Gd-doped titania.

Aerobic partial oxidations of alkanes and alkenes are important processes of the petrochemical industry. The radical mechanisms involved can be catalyzed by soluble salts of transition metals (Co, Cu, Mn..

A theoretical study of cohesion, structural deformation, inclusion, and dynamics in porous hydrogen-bonded molecular networks.

Molecules with multiple sites of hydrogen bonding attached to suitable cores tend to crystallize as open networks. The resulting crystals can have the following unusual properties: They can include significant amounts of guest molecules; the guests are typically located in channels and can be exchanged without loss of crystallinity; and the geometry of the networks can change in response to new guests. We have found that DFT calculations can provide accurate simulations of the unusual structure and properties of such materials, represented by crystals of prototypic tetrapyridinone 1.