Hybrid quantum mechanics/molecular mechanics (QM/MM) methods were employed to study electronic effects of 5,5'-substituents on the enantioselectivity of (salen)Mn catalysts. Correlations obtained from the QM/MM calculations elucidated electronic framework effects on enantioselectivity for (salen)Mn heterogenized in a metal-organic framework (MOF). The correlations also enabled fast ligand scree...

Keggin-type polyoxometalate (POM), phosphotungstic acid (H3PW12O40), was encapsulated by an oppositely charged COOH-functionalized surface active ionic liquid (SAIL), N-decyl-N′carboxymethyl imidazolium bromide ([N-C10, N′-COOH-Im]Br), with the assistance of an ionic self-assembly (ISA) process in an aqueous environment. The as-prepared POM/SAIL material possesses multiple active properties, in...

Hybrid systems in which molecule-based active species are combined with nanoscale materials may offer valuable routes to enhance catalytic performances for electrocatalytic reactions. The development of rationally designed, cost-effective, efficient catalysts for the oxygen reduction reaction (ORR) is a crucial challenge for applications in fuel cells and metal-air batteries. A new hybrid ORR c...

Introduction of a biotinylated monophosphine palladium complex within streptavidin affords an enantioselective artificial Suzukiase. Site-directed mutagenesis allowed the optimization of the activity and the enantioselectivity of this artificial metalloenzyme. A variety of atropisomeric biaryls were produced in good yields and up to 90% ee. The hybrid catalyst described herein shows comparable ...

The electroreduction of water for sustainable hydrogen production is a critical component of several developing clean-energy technologies, such as water splitting and fuel cells. However, finding a cheap and efficient alternative catalyst to replace currently used platinum-based catalysts is still a prerequisite for the commercialization of these technologies. Here we report a robust and highly...

Novel Ru(II) complex-based hybrid inorganic-organic materials immobilized via a diamine co-ligand site instead of the conventional diphosphine ligand have been prepared. The complexes were prepared by two different methods: sol-gel and surface modification techniques. The structures of the desired materials were deduced by several available physical measurements like elemental analyses, infrare...

Hybrid inorganic-organic materials comprising organic functional groups tethered from silica surfaces are versatile, heterogeneous catalysts. Recent advances have led to the preparation of silica materials containing multiple, different functional groups that can show cooperative catalysis; that is, these functional groups can act together to provide catalytic activity and selectivity superior ...

Carbon-supported precious metal catalysts are widely used in heterogeneous catalysis and electrocatalysis, and enhancement of catalyst dispersion and stability by controlling the interfacial structure is highly desired. Here we report a new method to deposit metal oxides and metal nanoparticles on graphene and form stable metal-metal oxide-graphene triple junctions for electrocatalysis applicat...

In aircraft and spacecraft, outside air is not directly fed to the passenger because it contains ozone at elevated altitudes. The decomposition of low concentration in was carried out 25 °C by catalytic oxidation on Pd-based catalysts supported a high surface area hybrid TiO2. use these has shown beneficial effect, both activity catalyst stability. Kinetic studies showed that most promising pha...

To aid the development of IGCC technologies, the unique properties of aerogels were exploited to research purifying systems for H2S, NO, and Hg that are durable and efficient. Aerogels can be used to capture hot gases based on their high surface areas and great tendency to form composites with various other sorbents or structural supports. Silica aerogels are at the heart of the study. Sol-gel ...