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Chemisorption
About: Chemisorption is a research topic. Over the lifetime, 16298 publications have been published within this topic receiving 554989 citations.
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TL;DR: In this paper, the authors investigated several catalytic reactions on some transition metal surfaces, using density functional theory, and determined all the reaction barriers related to the potential energy surface of reactants on the surface, the total chemisorption energy of reactant, and the metal d orbital occupancy and the reactant valency.
Abstract: A catalyst preparation by design is one of the ultimate goals in chemistry. The first step towards this goal is to understand the origin of reaction barriers. In this study, we have investigated several catalytic reactions on some transition metal surfaces, using density functional theory. All the reaction barriers have been determined. By detailed analyses we obtain some insight into the reaction barrier. Each barrier is related to (i) the potential energy surface of reactants on the surface, (ii) the total chemisorption energy of reactants, and (iii) the metal d orbital occupancy and the reactant valency.
142 citations
TL;DR: In this paper, the surface chemistry of isolated silicon cluster ions in the 7-65 atom size range was investigated and the results suggest the silicon clusters in this size range have well-defined structures which vary in ability to catalyze dissociative chemisorption at the surface.
Abstract: FT‐ICR techniques were used to probe the surface chemistry of isolated silicon cluster ions in the 7–65 atom size range. Dissociative chemisorption reactions with NH3 were observed to proceed with rates which varied widely with cluster size. One particular cluster, Si+39, was found to be remarkably inert. Clusters with 20, 25, 33, and 45 atoms were found to be unreactive as well, while those with 18, 23, 30, 36, 43, or 46 atoms were quite reactive. Similarly oscillating reaction patterns were observed with CH3OH, whereas highly reactive free radical scavengers such as O2 and NO showed little selectivity. These results suggest the silicon clusters in this size range have well‐defined structures which vary in ability to catalyze dissociative chemisorption at the surface.
142 citations
TL;DR: In this article, Fourier transform infrared (FTIR) spectroscopy is used to study the kinetics of reactions between water, ammonia, methanol, and methylamine and the edge-shared tetrahedral surface defects in dehydroxylated silica.
142 citations
TL;DR: In this article, an intraparticle Knudsen diffusion model based on a Freundlich isotherm was developed for predicting the amount of hydrogen sulphide (H 2 S) adsorbed.
142 citations
TL;DR: In this article, a model of CuO/Ce0.8X0.2Oδ catalysts (with X = Ce, Zr, La, Pr, or Nd) with different chemical features and characterized by X-ray diffraction, Raman spectroscopy, N2 adsorption, and H2 temperature-programmed reduction are presented.
Abstract: Model CuO/Ce0.8X0.2Oδ catalysts (with X = Ce, Zr, La, Pr, or Nd) have been prepared in order to obtain CuO/ceria materials with different chemical features and have been characterized by X-ray diffraction, Raman spectroscopy, N2 adsorption, and H2 temperature-programmed reduction. CO-PROX experiments have been performed in a fixed-bed reactor and in an operando DRIFTS cell coupled to a mass spectrometer. The CO oxidation rate over CuO/ceria catalysts correlates with the formation of the Cu+–CO carbonyl above a critical temperature (90 °C for the experimental conditions in this study) because copper–carbonyl formation is the rate-limiting step. Above this temperature, CO oxidation capacity depends on the redox properties of the catalyst. However, decomposition of adsorbed intermediates is the slowest step below this threshold temperature. The hydroxyl groups on the catalyst surface play a key role in determining the nature of the carbon-based intermediates formed upon CO chemisorption and oxidation. Hydrox...
142 citations