The Fischer–Tropsch (FT) process consists of the reaction a synthesis gas (syngas) mixture containing carbon monoxide (CO) and hydrogen (H2), which are polymerized into liquid hydrocarbon chains, often using cobalt catalyst, although mechanistic pathway is not yet fully understood. Here, we have employed unrestricted density functional theory calculations with Hubbard Hamiltonian long-range dis...

Adsorption and coadsorption of carbon monoxide and oxygen on different types of Au clusters on R(15 × 3)C/W(110) and R(15 × 12)C/W(110), respectively, are studied with respect to the catalytic behavior for oxidation of CO as well as of surface carbon. Carburization of the W(110) surface results in a weakening of the adsorption bond for molecularly adsorbed CO. Dissociation of carbon monoxide, w...

The catalytic CO Oxidation on model silica-supported palladium catalysts has been investigateed with in situ infrared reflection-absorption spectroscopy (IRAS), temperature-programmed desorption/reaction, and kinetic measurements in the pressure range of lC9-15 Torr and the temperature range of 350-1000 K. The model catalysts were prepared by evaporating palladium onto a silica thin film suppor...

The aim of this study was to determine whether it is possible using ear-oximetry to prescribe the correct oxygen flow rates during exercise in chronic obstructive pulmonary disease (COPD) patients on long-term oxygen therapy (LTOT). Twenty COPD patients on LTOT, with exercise desaturation breathing oxygen at resting flow rates, performed a series of 6-min treadmill walking tests, with a progres...

The class of [NiFe]-hydrogenases is characterized by a bimetallic cofactor comprising low-spin nickel and iron ions, the latter of which is modified with a single carbon monoxide (CO) and two cyanide (CN-) molecules. Generation of these ligands in vivo requires a complex maturation apparatus in which the HypC-HypD complex acts as a 'construction site' for the Fe-(CN)2CO portion of the cofactor....

Transitional metal nanoparticles or atoms deposited on appropriate substrates can lead to highly economical, efficient, and selective catalysis. One of the greatest challenges is to control the electronic metal-support interactions (EMSI) between the supported metal atoms and the substrate so as to optimize their catalytic performance. Here, from first-principles calculations, we show that an o...