Calculation of energy characteristics of adsorption of metals |
| |
Authors: | A V Matveev |
| |
Institution: | (1) F. M. Dostoevskii Omsk State University, Russia |
| |
Abstract: | Within the framework of the electron density functional, a technique is developed for calculation of the adsorption energy
and variation in the electron work function for metal substrates due to metal atom adsorption. The corrections to the local
density approximation, which are associated with non-uniformity of the electron density in the subsurface region and discontinuous
ion charge distribution over the crystal lattice sites, are included into consideration. It is shown that adsorption of alkali
metal atoms results in lower electron work function, while that of transition metals (cobalt, iron, and chromium) might both
decrease and increase the electron work function. Formation of a variety of adsorption structures from metal atoms depending
on the temperature is discussed.
__________
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 14–19, July, 2007. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|