Intrinsic activation barriers and coadsorption effects for reactions on metal surfaces: unified formalism within the UBI-QEP approach

We present a unified formulation of the unity bond index-quadratic exponential potential method (UBI-QEP, formerly known as the BOC-MP method) of determining metal surface reaction energetics. We give a unified treatment of enthalpies and intrinsic activation barriers for dissociation and recombinat...

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Veröffentlicht in:	Surface science 2002-04, Vol.504 (1-3), p.167-182
Hauptverfasser:	SELLERS, Harrell, SHUSTOROVICH, Evgeny
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption and desorption kinetics evaporation and condensation Chemistry Condensed matter: structure, mechanical and thermal properties Exact sciences and technology General and physical chemistry Physics Solid-fluid interfaces Solid-gas interface Surface physical chemistry Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties)
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