Understanding composition-dependent catalytic performance of PdAg for the hydrogenation of 1,3-butadiene to 1-butene


The composition-dependent adsorption and catalytic properties of Pdsingle bondAg bimetallic surfaces for the partial hydrogenation of 1,3-butadiene to 1-butene were studied by density functional theory. With the increase of Ag content, the activity and selectivity for the partial hydrogenation of 1,3-butadiene to 1-butene were enhanced with the decrease in binding strength of adsorbates. The increase of surface Ag content in Pdsingle bondAg catalysts can thus enhance the catalytic performance of the hydrogenation of 1,3-butadiene.

Funding source: PetroChina Innovation Foundation (2019D-5007-0403) and Fundamental Research Funds for the Central Universities (XK1802-1 and XK180301).
Related subjects: Production & Supply Chain

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