Adsorption of Atoms on Cu Surfaces:  A Density Functional Theory Study

The chemisorption of atoms (H, N, S, O, and C) on Cu surfaces has been systematically studied by the density functional theory generalized gradient approximation method with the slab model. Our calculated results indicate that the orders of the adsorption energy are H < N < S < O < C on...

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Veröffentlicht in:	Langmuir 2007-04, Vol.23 (9), p.4910-4917
Hauptverfasser:	Pang, Xian-Yong, Xue, Li-Qin, Wang, Gui-Chang
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Carbon - chemistry Chemistry Copper - chemistry Exact sciences and technology General and physical chemistry Hydrogen - chemistry Models, Chemical Nitrogen - chemistry Oxygen - chemistry Quantum Theory Sulfur - chemistry Surface physical chemistry Surface Properties
Online-Zugang:	Volltext
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