The CO oxidation behaviors on single Au atom embedded in two-dimensional h-BN monolayer are investigated on the basis of first-principles calculations, quantum Born-Oppenheim molecular dynamic simulations (BOMD) and micro-kinetic analysis. We show that CO oxidation on h-BN monolayer support single gold atom prefers an unreported tri-molecular Eley-Rideal (E-R) reaction, where O2 molecule is act...

Using a hexapole technique, a beam of gas phase oriented and state selected NO molecules is directed onto a CO precovered Pt(100) surface. Two quadrupole mass analyzers behind the platinum target record the yield of NO and CO, molecules leaving the surface. The platinum single crystal acts like a catalyst and the CO, reaction signal strongly depends on the initial NO orientation, that is to say...

For over 90 years, nitroxyl (HNO) has been postulated to be an important reaction intermediate in the catalytic oxidation of ammonia to NO and its by-products (N2, N2O), but never proven to form or exist on catalytic surfaces. Here we show evidence from reactive ion beam experiments that HNO can form directly on the surface of polycrystalline Pt exposed to NH3via Eley-Rideal abstraction reactio...

Experiments under controlled conditions show that MoCx nanoclusters supported on an inert Au(111) support are efficient catalysts for CO2 conversion, although with a prominent role of stoichiometry. In particular, C-deficient nanoparticles directly dissociate and rapidly become deactivated. On the contrary, nearly stoichiometric reversibly adsorb/desorb and, after exposure to hydrogen, converts...

Mechanistic kinetic models were postulated for the catalytic steam reforming of concentrated crude ethanol on a Ni-based commercial catalyst at atmosphere pressure in the temperature range of 673-863 K, and at different catalyst weight to the crude ethanol molar flow rate ratio (in the range 0.9645-9.6451 kg catalyst h/kg mole crude ethanol) in a stainless steel packed bed tubular microreactor....

The role of Cu species in ion-exchanged IM-5 zeolite (Cu-IM-5) regarding the performance selective catalytic reduction (SCR) NOx with NH3 (NH3-SCR) and reaction mechanism was studied. Based on H2 temperature-programmed (H2-TPR) electron paramagnetic resonance (EPR) results, Cu–O–Cu isolated are suggested as main existing Cu-IM-5 active for SCR reaction. show a good NH3-SCR activity at temperatu...

The objective of this research is to develop a kinetic model to describe the transesterification of soybean oil with methanol using NaOH-impregnated calcined oyster shell (Na-COS). Batch experiments were performed via a two-factor randomized complete block design using a molar ratio of methanol to oil (MR) of 6, 12, and 18 and catalyst loadings (CL) (mass of catalyst/mass of oil in %) of 2%, 4%...

Acetic acid, in vinegar, is one of the most anciently used preservatives. Its toxicity to bacteria and to fungi has been recognized. Wolf and Shunk (^6) ^ found that it was more toxic to the six species of bacteria investigated by them than was hydrochloric, sulphuric, citric, tartaric, malic^ or formic acids. In the experiments of Bitting (4) acetic acid was as toxic to fungi as benzoic, boric...