most citedComposition and reactivity on Pd/Au(111) surface: A first-principle study

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cond-mat.mtrl-sci2007

The ensemble effects on adsorption and dehydrogenation of ethylene on PdAu(001) bimetallic surfaces

Dingwang Yuan, Xingao Gong, Ruqian Wu

First-principles calculations are performed to study the adsorption and dehydrogenation of ethylene on PdAu(001) bimetallic surfaces. The activation energies for C-H bond breaking…

cond-mat.mtrl-sci2007★ 1 cited

Composition and reactivity on Pd/Au(111) surface: A first-principle study

D. W. Yuan, X. G. Gong, Ruqian Wu

Atomic configurations of two or three Pd substituents on the Au(111) surface are investigated using the first-principles pseudopotential plane wave approach. Pd atoms are found to…