How good is the surface molecule picture?
- 21 April 1974
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 7 (8), L157-L161
- https://doi.org/10.1088/0022-3719/7/8/002
Abstract
The 'surface molecule' treatment of the chemisorption problem relies for its validity on the presence of an orbital, localized on the surface atoms of the substrate, with which the adatom can bind. In this letter, exact calculations have been performed for the one-electron tight-binding s- and d-band substrates to examine this localization. In a few cases the surface molecule picture is valid, and a simple criterion has been devised to explain the results. Some consequences are discussed.Keywords
This publication has 10 references indexed in Scilit:
- The concept of the surface molecule in chemisorptionSurface Science, 1973
- Surface densities of states in the tight-binding approximationSurface Science, 1973
- Indirect Interaction between Adatoms on a Tight-Binding SolidPhysical Review B, 1973
- Chemisorption theory and the surface moleculeSurface Science, 1972
- Electronic structure based on the local atomic environment for tight-binding bandsJournal of Physics C: Solid State Physics, 1972
- Adsorption of Transition Metal Atoms on a Transition Metal SubstrateJournal of Vacuum Science and Technology, 1972
- Electronic Structure of Adsorbed Atoms and MoleculesJournal of Vacuum Science and Technology, 1971
- A calculation of migration energies and binding energies for tungsten adatoms on tungsten surfacesSurface Science, 1970
- Self-Consistent Model of Hydrogen ChemisorptionPhysical Review B, 1969
- Atomic Binding of Transition Metals on Clean Single-Crystal Tungsten SurfacesThe Journal of Chemical Physics, 1968