Binding Energies for Different Adsorption Sites of Hydrogen on Simple Metals
Authors:
- 2 August 1976
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 37 (5) , 292-295
Abstract
A self-consistent calculation for hydrogen chemisorption is reported, where the surface is described both by the jellium model and by a model that includes ion pseudopotentials to lowest order. It predicts that for H on Al(100) a bridge configuration is the most favorable (binding energy 1.9 eV), and that the activation energy for surface diffusion is 0.1-0.2 eV.Keywords
This publication has 16 references indexed in Scilit:
- Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalismPhysical Review B, 1976
- Self-Consistent Theory of the Chemisorption of H, Li, and O on a Metal SurfacePhysical Review Letters, 1975
- Hydrogen Chemisorption by the Spin-density Functional Formalism. IPhysica Scripta, 1975
- Screening in a spin-polarized electron liquidSolid State Communications, 1972
- Self-Consistent Model of Hydrogen ChemisorptionPhysical Review B, 1969
- Electronic Structure of Diatomic Molecules. VII.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the Second-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- Electron-ion pseudopotentials in metalsPhysics Letters, 1966
- Application of a Self-Consistent Scheme Including Exchange and Correlation Effects to AtomsPhysical Review B, 1966
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- The Physical Nature of the Chemical BondReviews of Modern Physics, 1962