Structural And Energetic Changes of Si (100) Surface With Fluorine in Presence of Water – A Density Functional Study

Structural And Energetic Changes of Si (100) Surface With Fluorine in Presence of Water – A Density Functional Study

Abstract: We report density functional electronic structure calculations to monitor the change in the surface characteristics of the Si (100)-2x1 surface after fluorination followed by interaction with water. Embedded finite silicon clusters are used to model an extended Si (100)-2x1 surface. Two hi...

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Bibliographic Details
Main Authors: Takeo Ebina, Takashi Iwasaki, Abhijit Chatterjee
Format: Article
Language:English
Published: MDPI AG 2001-05-01
Series:International Journal of Molecular Sciences
Subjects:
Structure
Energetics
DFT
Si (100) surface
Fluorination
Water
Online Access:http://www.mdpi.com/1422-0067/2/2/40/

Internet

http://www.mdpi.com/1422-0067/2/2/40/

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