| 초록 |
Formic acid (HCOOH) is a low-toxic chemical that can be easily stored, transferred, and handled. Currently, it was found that among the noble metal catalysts, the activity for the H2 production via HCOOH decomposition is enhanced on Pd catalysts, however, the selectivity to H2 production is still to be improved. To solve such issue, the bimetallic alloy Metal-Pd Core-Shell has been proposed to improve both the catalytic activity and selectivity of Pd toward H2 production from HCOOH decomposition. In this work, we constructed metal core, such as Ir, Pt, Au, Cu, Ag and Rh with the monolayer Pd-Shell. Our results indicate that Pdmono/Cu (111) has the best H2 productivity and selectivity, due to the drastic transfer of charge from Cu-core to the surface Pd atoms, which ultimately modifies the electronic structure of the Pd-shell. Moreover, the electronic structure of the Pd-shell is changed by synergistic effect of the compressive strain effect and the ligand contribution. This work hints on the importance of properly engineering the surface activity of the M-Pd core-shell catalysts by the interplay between ligand and strain effects. |
