Theoretical studies on the adsorption and decomposition of H2O on Pd(111) surface

To provide information about the chemistry of water on Pd surfaces, we performed density functional slab model studies on water adsorption and decomposition at Pd(111) surface. We located transition states of a series of elementary steps and calculated activation energies and rate constants with and...

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Veröffentlicht in:	Surface science 2006-10, Vol.600 (19), p.4572-4583
Hauptverfasser:	YILIN CAO, CHEN, Zhao-Xu
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Exact sciences and technology Physics
Online-Zugang:	Volltext
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