In recent years, there has been considerable interest in studies of catalytic metal clusters in metalloproteins based on Density Functional Theory (DFT) quantum mechanics/molecular mechanics (QM/MM) hybrid methods. These methods explicitly include the perturbational influence of the surrounding protein environment on the structural/functional properties of the catalytic centers. In conjunction ...

Nickel hexacyauoferrate films have been deposited on the surface of a microbaud gold electrode by cyclic voltammetry. Cyclic voltammograms of the resulting nickel hexacyauoferrate films indicate the presence of a couple of redox peaks which correspond to the hexacyanoferrate(II/III) redox couple. The nickel hexacyanoferrate modified microband gold electrode shows an excellent electrocatalytic a...

Ferritins are iron storage proteins that overcome the problems of toxicity and poor bioavailability of iron by catalyzing iron oxidation and mineralization through the activity of a diiron ferroxidase site. Unlike in other ferritins, the oxidized di-Fe3+ site of Escherichia coli bacterioferritin (EcBFR) is stable and therefore does not function as a conduit for the transfer of Fe3+ into the sto...

Developing an efficient non-noble catalyst for CO oxidation with high catalytic activity remains a challenge for practical applications. In this work, CuO nanorods decorated reduced graphene oxide (RGO) nanocatalysts were prepared via a facile one-step hydrothermal method. The structure and morphology of the as-prepared samples were characterized by XRD, Raman spectroscopy, SEM, TEM, and X-ray ...

High-efficiency and high-selectivity catalytic oxidation of alkanes under mild conditions with air is a major aim of current catalytic chemistry and chemical production. Despite extensive development efforts on new catalysts for cyclohexane oxidation, current commercial processes still suffer from low conversion, poor selectivity, and excessive production of waste. Here, we present the design a...

Doping CeO2 with Pd atoms has been associated with catalytic CO oxidation, but current surface models do not allow CO adsorption. Here, we report a new structure of Pd-doped CeO2(111), in which Pd adopts a square planar configuration instead of the previously assumed octahedral configuration. Oxygen removal from this doped structure is favorable. The resulting defective Pd-doped CeO2 surface is...

Ag-based catalysts with different supports (TiO2, Al2O3 and CeO2) were prepared by impregnation method and subsequently tested for the catalytic oxidation of formaldehyde (HCHO) at low temperature. The Ag/TiO2 catalyst showed the distinctive catalytic performance, achieving the complete HCHO conversion at around 95 °C. In contrast, the Ag/Al2O3 and Ag/CeO2 catalysts displayed much lower activit...

Homogeneous Cu/TEMPO catalyst systems (TEMPO = 2,2,6,6-tetramethylpiperidine-N-oxyl) have emerged as some of the most versatile and practical catalysts for aerobic alcohol oxidation. Recently, we disclosed a (bpy)Cu(I)/TEMPO/NMI catalyst system (NMI = N-methylimidazole) that exhibits fast rates and high selectivities, even with unactivated aliphatic alcohols. Here, we present a mechanistic inve...

X-ray photoelectron and absorption spectroscopies (XPS and XAS) combined with on-line mass spectrometry were applied under working catalytic conditions to investigate the methanol oxidation on cobalt. Two cobalt oxidation states (Co3O4 and CoO) were prepared and investigated as regards their influence on the catalytic activity and selectivity. In addition adsorbed species were monitored in the ...

CO oxidation over platinum group metals has been investigated for some eight decades by many researchers and is considered to be the best understood catalytic reaction. Nevertheless, there has been a renewed interest in CO oxidation recently because of its technological importance in pollution control and fuel cells. Removal of COx from automobile exhaust is accomplished by catalytic converters...