Effect of Linkers in Palladium Reduced Graphene Oxide as Catalyst in Hydrogenation Under Electric Field: Experimental and Computational Study
DOI:
https://doi.org/10.11113/jomalisc.v5.127Keywords:
Density-functional theory, External electric field, Linker, Palladium, Reduced graphene oxide, hydrogenationAbstract
Hydrogenation is an important industrial process that commonly requires high temperatures and pressures, leading to high energy consumption and catalyst deactivation. In this study, the effects of different linker systems on palladium–reduced graphene oxide (Pd/rGO) catalysts for hydrogenation under an external electric field (EEF) were investigated. Polyvinylpyrrolidone (PVP), polypyrrole (PPy), and chitosan (CS) were used as linkers in the synthesis of Pd–rGO catalysts. The prepared catalysts were characterized using ATR-FTIR, SEM, and ICP-OES analyses to evaluate chemical interactions, morphology, and palladium loading. ICP-OES results showed that Pd–CS/rGO exhibited the highest Pd loading of 4.58 wt%, indicating stronger Pd immobilization by the amino and hydroxyl functional groups of chitosan. Catalytic performance was evaluated through the hydrogenation of 1-octene under EEF-assisted conditions and analyzed using GC-FID. Among the investigated catalysts, Pd–CS/rGO showed the highest catalytic activity with 11.3% conversion. Density-functional theory calculations further revealed differences in the electronic distribution and electrostatic characteristics of the linker monomers, which were generally consistent with the experimental observations. Overall, linker chemistry was found to influence Pd incorporation, electronic behavior, and catalytic performance under external electric field conditions.
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