The Enhanced Catalytic Dissociation of Adsorbed Hydrogen Containing Molecules

Abstract

Some general conceptions and mechanisms of dissociative adsorption and catalysis are analyzed. The role of such factors as electronic shell configurations of isolated atoms, crystalline structure of the surface, local structural irregularities and defects, orientation of the surface bonds, dimensional effects, the presence of foreign atoms in the local atomic environment as well as the local symmetry of adsorption center are discussed. These considerations were used in developing the program for computer simulation of the process. The catalytic properties of PdCu x surface alloys are analyzed using computer modelling and thus the enhancement of dissociative adsorption of H 2 for such a system is predicted. The experimental data, demonstrating the enhancement of sensitivity of MIS sensor with CuPd electrode in comparison with the pure Pd electrode, are presented.

Decoration of Pd Nanoparticles with N and S Doped Carbon Quantum Dots as a Robust Catalyst for the Chemoselective Hydrogenation Reaction

“…Unfortunately, electron-deficient Pd particles are not in favor of hydrogen dissociation . Therefore, H 2 -TPD was carried out to further investigate the effect of N,S-CQDs on the electronic properties of Pd particles.…”

“…Unfortunately, electron-deficient Pd particles are not in favor of hydrogen dissociation. 62 Therefore, H 2 -TPD was carried out to further investigate the effect of N,S-CQDs on the electronic properties of Pd particles. Unexpectedly, Pd@N,S-CQDs-62.5 demonstrates more adsorbed hydrogen than Pd/AC (Figure 8), revealing that hydrogen spillover occurs on the active site of Pd@N,S-CQDs.…”

Selective hydrogenation of succinic acid to gamma-butyrolactone with PVP-capped CuPd catalysts

“…According to Yang et al, the adsorption energy of hydrogen on Pd 1 -Cu 3 (111) is lower than on Pd(111), 43 which can be attributed to the unsuitable geometries due to the larger Pd-Pd distance. 44 In other words, the efficiencies of hydrogen adsorption and dissociation might be lower on the CuPd alloy sites than on the Pd sites, which is possibly responsible for the decrease in catalytic activity. Therefore, it is suitable to propose that in terms of the catalytic activity, Pd rich CuPd alloy NPs are necessary and sufficient conditions for the optimum efficiency of GBL production.…”

The Catalytic Role of D-block Elements and Their Compounds for Improving Sorption Kinetics of Hydride Materials: A Review

“…Such a model could help to design more effective catalysts and it has been investigated by many researchers [47,48]. However, experimental evidence showed the reverse of the volcano plot in the case of Mg hydride for hydrogen storage due to several reasons.…”