One-pot synthesis of Pd nanoparticles on ordered mesoporous Al 2 O 3 for catalytic hydrogenation of 2-ethyl-anthraquinone

Enhanced catalytic performance of Pd‐Ga bimetallic catalysts for 2‐ethylanthraquinone hydrogenation

“…On the other hand, Ga 2 O 3 /Pd (111) model as shown in Figure (b) was constructed to clarify the effect of Ga 2 O 3 ‐Pd interface on the EAQ activation. It has been reported that EAQ hydrogenation follows the Langmuir‐Hinshelwood (L‐H) mechanism, in which the activation energy barrier of EAQ hydrogenation and H 2 dissociation is low, just 67.6 kJ mol −1 and 16.4 kJ mol −1 , and the adsorption of EAQ on the catalyst surface is crucial to EAQ hydrogenation, which means that the reaction rate of EAQ hydrogenation is limited by EAQ adsorption and higher adsorption energy of EAQ will lead to a higher hydrogenation efficiency . Therefore, DFT calculations were performed to compare the adsorption energy of EAQ on Pd (111) and Ga 2 O 3 /Pd (111) surfaces.…”

“…In order to further illuminate the effects of the interface between Ga 2 O 3 and Pd, DFT calculations were conducted. Pd (111) is a low index surface with stable structure, so the Pd (111) surface was selected to investigate the adsorption configuration of EAQ . The Pd (111) facet was modeled by a p (5 × 6) super cell with three‐layer slab, the bottom two layers were fixed and the top one layer with adsorbed EAQ molecule was relaxed.…”

“…The properties of supports also have a significant effect on the catalytic performance for 2‐ethylanthraquinone hydrogenation. It has been reported that the support with weak alkalinity possessing high electron density improves the electron density of Pd, which facilitates H 2 activation/dissociation and inhibits the formation of by‐products . In addition, numerous studies have been dedicated to improve the catalytic performance of Pd‐based catalysts by adding promoters, such as Ir, Ni, Co, Ru, La and Zn .…”

Fabrication of Pd3@Beta for catalytic combustion of VOCs by efficient Pd3 cluster and seed-directed hydrothermal syntheses

“…4B, Pd/Beta exhibited peaks at 2100-2000, 1930 and 1900 cm À1 assigned to linear, 2-fold bridged and 3-fold bridged carbonyls, respectively, and a peak at 1860 cm À1 ascribed to adsorption of CO on large Pd metal particles with high coordination numbers. 33,34 For Pd clusters conned in zeolites, only linear carbonyls (2100-2000 cm À1 ) were observed, while 2-fold bridged and 3-fold bridged carbonyls were absent. Generally, it is acknowledged that linear carbonyls indicate a high proportion of Pd sites with low coordination.…”

Density Functional Theory Analysis of Anthraquinone Derivative Hydrogenation over Palladium Catalyst

“…Recently, Yuan et al. reported that the Pd atoms with low coordination number exhibit superior catalytic activity in eAQ hydrogenation to Pd atoms on the perfect surface . This indicates that the potential active sites for eAQ hydrogenation are at the corners, edges, and steps of the Pd surface.…”