Accession Number : AD0758381

Title :   Charge Densities and Binding Energies in Hydrogen Chemisorption.

Descriptive Note : Technical rept.,

Corporate Author : CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS

Personal Author(s) : Smith,John A. ; Ying,See-Chen ; Kohn,Walter

Report Date : MAR 1973

Pagination or Media Count : 14

Abstract : The chemisorption of hydrogen on metals is treated by a self-consistent calculation. Three dimensional charge densities, interaction energies and dipole moments are given as a function of position of the hydrogen adatoms. The results are compared with experiment. The experimental picture of a dissociated adsorbate of small dipole moment is substantiated, and the calculations are consistent with the observation that hydrogen field desorbs together with the surface atoms of the substrate. (Author)

Descriptors :   (*ADSORPTION, *HYDROGEN), (*SURFACES, ADSORPTION), ELECTRON DENSITY, DIPOLE MOMENTS, NUMERICAL ANALYSIS

Subject Categories : Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE