Hydrogen adsorption energies on bimetallic overlayer systems at the solid–vacuum and the solid–liquid interface

A kinetic study of the liquid-phase hydrogenation of phenylpropanal over alumina-supported Ir catalysts

“…This value can be safely used to represent the hydrogen adsorption from the liquid phase. Density functional computations have shown that the hydrogen adsorption at a solid-vacuum interface is not significantly different energetically from hydrogen adsorption at a solid-liquid interface [11].…”

Hydrogen Reactions on Nanostructured Surfaces

“…Theoretical calculations of the hydrogen adsorption on Pd on Au (111) [91,92,113] are discussed. Figure 1.20 [113] shows the hydrogen adsorption energy versus the number of Pd overlayers on Au (111) is shown. For comparison, pure Pd is also given on the right side of the figure.…”

“…The pure Pd substrates with the lateral lattice constant of Au (a ¼ 4.18 A ) and Pd (a ¼ 3.96 A) are labeled by Pd@Au and Pd, respectively[113].…”

Reactivity of Bimetallic Systems Studied from First Principles

“…It will be shown that there are bimetallic systems such as PtRu which exhibit properties that do not correspond to an intermediate behavior in between those of the pure components but that are rather beyond those of both components [7][8][9]. However, there are other bimetallic systems such as PdCu which act more like a novel metal with properties in between those of the single components [10,11]. In order to analyse and categorize these effects, reactivity concepts are very helpful.…”