Chemical trends in atomic adsorption on simple metals

Abstract

Essentially exact numerical solutions of the self-consistent atom-jellium model are used to show how the chemical concepts of electronegativity, shell-filling, and covalent or ionic bonding manifest themselves in the microscopic redistributions of charge and state density which accompany chemisorption. Realistic results are provided for chemisorbed Li, Cl, and Si, illustrating the three basic types of bonding cationic, anionic, and covalent. © 1976 The American Physical Society.