Adsorption and Dissociation of <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi mathvariant="normal">H</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span> on Mg Surfaces

J. K. Nørskov; A. Houmøller; P. K. Johansson; B. I. Lundqvist

doi:10.1103/PhysRevLett.46.257

Adsorption and Dissociation of $H_{2}$ on Mg Surfaces

J. K. Nørskov, A. Houmøller, P. K. Johansson, and B. I. Lundqvist

Phys. Rev. Lett. 46, 257 – Published 26 January 1981

Abstract

A self-consistent calculation of the potential-energy surface for a molecule ( $H_{2}$ ) on a metal surface [Mg(0001)] is presented. The following experimentally observable adsorption features are identified and interpreted: (i) an activation barrier for molecular adsorption, (ii) a mobile molecularly chemisorbed state ("precursor state"), (iii) an activation barrier for dissociation ( ${E_{a}}^{d}$ ), and (iv) a strong dependence of ${E_{a}}^{d}$ on the adsorption-site geometry.