Reconstruction of small Si cluster after ethylene adsorption: A full-potential...

Autor: Min Qiu, Ming Jiang, Yu-Jun Zhao, Pei-Lin Cao
Předmět:
Zdroj: Journal of Chemical Physics; 6/8/1999, Vol. 110 Issue 22, p10738, 8p, 23 Diagrams, 5 Charts
Abstrakt: Studies the reconstruction of small silicon cluster after ethylene adsorption by full-potential linear-muffin-tin-orbital molecular dynamics method based on the density-functional formalism. Two kinds of atoms in silicon; Most favored site for ethylene adsorption; Changes of the silicon cluster.
Databáze: Complementary Index