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...

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Bibliografiske detaljer
Main Authors: Manzhos, Sergei, Kulish, Vadym V., Tan, Teck L., Malyi, Oleksandr I.
Andre forfattere: School of Materials Science & Engineering
Format: Journal Article
Sprog:English
Udgivet: 2013
Online adgang:https://hdl.handle.net/10356/106115
http://hdl.handle.net/10220/16646