First-principle calculations were carried out to investigate the adsorption of CO over Cun nanoclusters. The structural, spectroscopic and electronic properties like optimized geometries, HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) energy levels, binding energy, adsorption energy, vibrational frequency and density of states (DOSs) of the p...

Large amounts of CO adsorption resulted from a pulse adsorption experiment at 323 K,giving ~300% Pt dispersion in the title catalyst.An in situ DRIFTS investigation showed that carbonate species on the Ce oxide surface are responsible for the CO adsorption, as a result of CO spillover. Lowering the temperature to 195 K reduced the amount of CO adsorption.The Pt particle size could be determined...

In the present study, adsorption of Co(tsPc)-4 using γ-Alumina was investigated. γ-Alumina was prepared by gel combustion method. The XRD pattern revealed that the synthesized γ-Alumina is amorphous and SEM image showed its nanosize scale while BET surface area about 501 m2/g and pore size of 7 nm implies highly porous surface which is a characteristic property of a high-quality adsorbent. In t...

Fine particles Silicoaluminophosphate-34 were synthesized by hydrothermal sol-gel method. The effect of crystallization time, as one of the important synthesis factors on particle size and crystallinity, kinetic and equilibrium adsorption, and selectivity of CO2 / CH4 has been studied in this work. The adsorption isotherms are obtained at mod...

First-principle calculations have been investigated to study the adsorption of the molecules (SO2, CO, NH3, CO2, NO2, and NO) on the surface of mono boron (B) B-doped and dual B-doped graphene sheets to explore their potential applications as sensors. Our findings indicate that the adsorption of (CO and NH3) on B-doped graphene and (CO and ...

This study presents the adsorption performance indicator for the evaluation of thermal power plant CO2 capture on mesoporous graphene oxide/TiO2 nanocomposite. To begin, this adsorbent was synthesized and characterized using N2 adsorption-desorption measurements (BET and BJH methods), X-Ray Diffraction (XRD), Field Emission Scanning Electron Microsc...

For years the subject of CO, adsorption on activated carbons has been both challenged and supported. The question remains whether or not CO, is a valid adsorbate for characterizing pore structures of activated carbons. The predominance of nitrogen adsorption as a routine experimental technique for BET surface area approximations has more or less overshadowed the limitations of this technique in...

The aim of this research is studying the effects of Ge-doped on CO adsorption on the outer and inner surfaces of (6, 0) zigzag model of boron nitride nanotube (BNNTs) by using DFT theory. For this purpose, eight models of CO adsorption on the surfaces of BNNTs are considered. At first step, all structures were optimized at B3LYP and 6-31G (d) standard base set and then the electronic structure,...

ordered mesoporous carbon cmk-3 (omc) have been synthesized using mesoporous sba-15 silica as template and modified with cobalt carbonate. morphologies and surface texturing of materials werecharacterized by x-ray diffraction (xrd), scanning electron microscopy (sem) and n2 adsorption-desorptionisotherms. the cobalt modified ordered mesoporous carbon were found to have a surface area of 490.06m...

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni ...