ISSN:
1572-879X
Keywords:
Hydrogen chemisorption theory on nickel
;
mechanism of heterogeneous catalysis
;
ionic component role of adsorbate
;
wave-function in surface bonding
;
image dipole interaction with ionic
;
component of adsorbate wave function
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A novel contribution to the mechanism of heterogeneous catalysis is discussed for a model H2-on-nickel (100) system. The effect, which corresponds in a first approximation to the dispersion energy between adsorbate molecule and metal, is calculated through (1) admixture of an ionic component in the wave function of the adsorbate; (2) interaction between this ionic component and the image dipole which it creates in the polarizable metal. A single VB model, using an Anderson-type evaluation of the delocalization energy between adsorbate and metal, shows the image contribution to be 10 to 15% of the total adsorbate ↔ metal interaction energy.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00773186
Permalink