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- W2092587722 abstract "We have studied the adsorption of CO on Pd(2 1 0) by performing density functional theory (DFT) calculations within the generalized gradient approximation. We find a relatively small corrugation in the CO adsorption energies with the two bridge sites being energetically almost degenerate. CO is furthermore known as a strong poison in heterogeneous catalysis. We have therefore also addressed the coadsorption of CO with atomic hydrogen. There is a significant inhibition of the hydrogen adsorption due to the presence of CO which is analysed in terms of the electronic structure of the adsorbate system." @default.
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- W2092587722 date "2004-10-01" @default.
- W2092587722 modified "2023-09-27" @default.
- W2092587722 title "CO and hydrogen adsorption on Pd(2 1 0)" @default.
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- W2092587722 doi "https://doi.org/10.1016/j.susc.2004.07.046" @default.
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