A computational study of the insertion of Li, Na, and Mg atoms into Si(111) nanosheets

Based on first principles calculations, we study the interaction of metal atoms (Li, Na, and Mg) with Si(111) nanosheets of different thicknesses. We show that the chemistry of the interactions is sensitive to both the nanosheet thickness and the dopant–surface distance. Both Li and Na atoms adsorb...

Full description

Bibliographic Details
Main Authors: Manzhos, Sergei, Kulish, Vadym V., Tan, Teck L., Malyi, Oleksandr I.
Other Authors: School of Materials Science & Engineering
Format: Journal Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/106115
http://hdl.handle.net/10220/16646