In this paper, we report a combined theoretical and experimental study of coronene:water interactions in low temperature argon matrices. The theoretical calculations were performed using the mixed density functional-based tight binding/force field approach. The results are discussed in the light of experimental matrix isolation FTIR spectroscopic data. We show that, in the solid phase, (C24H12)...

We studied structure and reactivity of ZnO(0001) ultrathin films grown on Ag(111) and Cu(111) single crystal surfaces. Structural characterization was carried out by scanning tunneling microscopy, Auger electron spectroscopy, low-energy electron diffraction, and temperature programmed desorption. The CO oxidation behavior of the films was studied at low temperature (450 K) at near atmospheric p...

In this investigation, we report the preparation and characterization of Co-, Cuand Mn-substituted iron oxide catalytic materials supported on activated carbon. Co-precipitation method and low temperature treatment were used for their synthesis. The influence of chemical composition, stoichiometry, particle size and dispersity on their catalytic activity was studied. Samples were characterized ...

Ni–CeO2–ZrO2 Catalysts for Water Gas Shift Reaction: Effect of CeO2

Iron-containing spinels, also known as ferrospinels, are widely used catalysts for the water gas shift (WGS) reaction. The catalytic activity of spinels containing transition metal ions as dopants or modifiers is influenced by the acid base and redox properties of these ions as well as by their site occupancy amongst the octahedral and tetrahedral sites in the spinel structure. It has been esta...

The high-temperature rate of reaction of the homogeneous, reverse water-gas shift reaction, rWGSR, has been evaluated in quartz reactors with rapid feed pre-heating at low-pressure and high-pressure conditions. The form of the powerlaw rate expression was consistent with the Bradford mechanism. The Arrhenius expressions for the reaction rate constant corresponding to the empty reactor were in v...

Compact reformers (CRs) are promising devices for efficient fuel processing. In CRs, a thin solid plate is sandwiched between two catalyst layers to enable efficient heat transfer from combustion duct to the reforming duct for fuel processing. In this study, a 2D heat and mass transfer model is developed to investigate the fundamental transport phenomenon and chemical reaction kinetics in a CR ...

Low-content (<0.6 at.%) gold-ceria samples were prepared by one-pot synthesis by the urea gelation/co-precipitation method, and by sodium cyanide leaching of high-content (5 at.%) gold-ceria materials prepared by deposition–precipitation. These catalysts, containing cationic gold in ceria, are active for both the low-temperature water–gas shift (WGS) reaction and the preferential oxidation of C...