The selective oxidation of methane to methanol is a key challenge in catalysis. Iron and copper modified ZSM-5 catalysts are shown to be effective for this reaction using H2O2 as the oxidant under continuous flow operation. Co-impregnation of ZSM-5 with Fe and Cu by chemical vapour impregnation yielded catalysts that showed high selectivity to methanol (> 92% selectivity, 0.5 % conversion), as ...

We study the allylic oxidation of cyclohexene with O2 under mild conditions in the presence of transition-metal catalysts. The catalysts comprise nanometric metal oxide particles supported on porous N-doped carbons (M/N:C, M=V, Cr, Fe, Co, Ni, Cu, Nb, Mo, W). Most of these metal oxides give only moderate conversions, and the majority of the products are over-oxidation products. Co/N:C and Cu/N:...

Using the binding energy of OH* and CO* on close-packed surfaces as reactivity descriptors, we screen bulk and surface alloy catalysts for methanol electro-oxidation activity. Using these two descriptors, we illustrate that a good methanol electro-oxidation catalyst must have three key properties: (1) the ability to activate methanol, (2) the ability to activate water, and (3) the ability to re...

Bond-Order Conservation-Morse Potential (BOC-MP) method is used to carry out the calculationon the CO2+ H20 system. One of the best catalysts for methanol synthesis in catalytic reductionof CO2 with H2O is Cu/ZnO/A1203 whose surface is supported by with some amount of Pd orGa. Reduction of CO2 with H20 on Cu will result in methanol formation; while on Ni will lead tomethane formation. In the me...

In the present study, the effects of calcium doping on the performance of the co-precipitated Cu-MgO catalysts prepared with different calcium loadings in the selective hydrogenation of furfuraldehyde were investigated. The results proved that the addition of this promoter had a remarkable impact on the catalytic performance. The conversion of furfuraldehyde enhanced up to 83% and the furfuryl ...

Introduction Recently, computational chemistry made great impacts on the catalyst design and development. However, the computational chemistry is mainly employed to clarify the atomistic mechanism of the well-known catalytic reactions and to obtain the electronic information on the catalysts of which property and reactivity are well known experimentally. We suggested that such traditional compu...

• PdCu single atom alloys (SAA) selectively catalyse furfural hydrogenation. Successful deposition of Pd atoms on Cu nanoparticles via galvanic replacement. SAAs are catalytically superior to monometallic and catalysts. host enhance hydrogen dissociative adsorption. Single-atom catalysts serve as a skilful control precious metals heterogenous where all active sites accessible for catalytic reac...

Highly monodispersed Cu-Pt bimetallic nanoclusters were synthesized by a facile synthesis approach. Analysis of transmission electron microscopy (TEM) and spherical aberration (C s)-corrected scanning transmission electron microscopy (STEM) images shows that the average diameter of the Cu-Pt nanoclusters is 3.0 ± 1.0 nm. The high angle annular dark field (HAADF-STEM) images, intensity profiles,...

Stereocontrolled coordination-insertion polymerization of rac-lactide remains a catalytic challenge despite the large number of studies and the successful marketing of polylactide as a disposable plastic. Although a number successful catalysts have been proposed, a system re-uniting high stereoselectivity with high activity and chemical robustness remains absent. We have been recently concentra...

Caprylic acid (CA) as model reactant was selectively reduced in a flow-through reactor in hydrogen stream at 21 bar total pressure and 240-360 °C over alumina loaded with the adjacent Co, Ni, Cu host and In guest metals. The main target of this research is the recognition of efficient cobalt catalysts for carboxylic group hydroconversion compared to more familiar nickel and copper composites. T...