We studied in this work a modified version of the Ziff, Gulari and Barshad (ZGB) model in which the adsorption probabilities of CO and O 2 are site dependent. We employed Monte Carlo simulations to determine the phase diagram of the model as a function of the partial pressure of CO in the gaseous phase, and of the relative adsorption probabilities. For the case where there is no site with affin...

A novel strategy for tailoring the adsorption and structural properties of ionic liquid derived carbons has been developed. By changing the carbonization temperature and ratios of ionic liquids (ILs) containing a cross-linkable anion, such as 1-butyl-3-methylimidazolium tricyanomethanide [BMIm][C(CN)(3)] and 1-ethyl-3-methylimidazolium tetracyanoborate [EMIm][B(CN)(4)], boron and nitrogen-rich ...

Electrochemical techniques, coupled with in situ scanning tunneling microscopy, have been used to examine the mechanism of CO oxidation and the role of surface structure in promoting CO oxidation on well-ordered and disordered Pt(111) in aqueous NaOH solutions. Oxidation of CO occurs in two distinct potential regions: the prepeak (0.25-0.70 V) and the main peak (0.70 V and higher). The mechanis...

We report on the magnetic coupling between isolated Co atoms as well as small Co islands and Ni(111) mediated by an epitaxial graphene layer. X-ray magnetic circular dichroism and scanning tunneling microscopy combined with density functional theory calculations reveal that Co atoms occupy two distinct adsorption sites, with different magnetic coupling to the underlying Ni(111) surface. We furt...

Adsorption of CO molecule on the Vanadium surface has been studied by using of the DFT method with LANL2DZ,6-31G* and 6-31G** basis sets by GGA approximation of theory. Using periodic first principles simulations we investigate the interaction of oxygen molecule with regular V (100) surface. The limitation of this approach is the use of thin metallic slabs with a limited range for their coverag...

The efficient use of the limited resources on earth is a critical factor to sustainable life. The development of better catalysts can make a significant contribution. Complete understanding of the catalytic activity would facilitate the design and control of specific catalytic processes. Consequently, by tuning of the catalytic reactivity, the amount of energy to run a reaction and the amount o...

Pb(II) is a representative heavy metal in industrial wastewater, which may frequently cause serious hazard to living organisms. In this study, comparative studies between alginate nanoparticles (AN) and quercetin-decorated alginate nanoparticles (Q-AN) were investigated for Pb(II) ion adsorption. Characterization of AN and Q-AN were analysed by transmission electron microscopy (TEM), Fourier tr...

The production of activated carbons (ACs) from rapeseed cake and raspberry seed cake using slow pyrolysis followed by physical activation of the obtained solid residues is the topic of this study. The effect of activation temperature (850, 900 and 950 °C), activation time (30, 60, 90 and 120 min) and agent (steam and CO₂) on the textural characteristics of the ACs is investigated by N₂ adsorpti...

The aim of this work was to study the adsorption behavior of the nanosilica-containing hydrogel nanocomposite of gum karaya grafted with poly(acrylic acid-acrylamide) (GK-clP(AA-co-AAM)) in the adsorption of methylene blue (MB) from aqueous solutions. The hydrogel nanocomposite was synthesized by the base-catalyzed hydrolysis and water condensation reactions of tetraethylorthosilicate in an aqu...

The adsorption sites of CO on the reduced RuO2(110) surface were determined by employing the techniques of density-functional theory calculations and quantitative low-energy electron diffraction. On the mildly reduced RuO2(110) surface, where the bridging oxygens are removed, twofold ~2f! undercoordinated Ru atoms @2fcoordinatively unsaturated site ~cus! Ru# are exposed. On this surface, the CO...