Bond Insertion at Distorted Si(001) Subsurface Atoms

Bond Insertion at Distorted Si(001) Subsurface Atoms

Using density functional theory (DFT) methods, we analyze the adsorption of acetylene and ethylene on the Si(001) surface in an unusual bond insertion mode. The insertion takes place at a saturated tetravalent silicon atom and the insight gained can thus be transferred to other saturated silicon com...

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Bibliographic Details
Main Authors: Lisa Pecher, Ralf Tonner
Format: Article
Language:English
Published: MDPI AG 2018-01-01
Series:Inorganics
Subjects:
adsorption
bond activation
bonding analysis
density functional theory
distorted coordination
molecular orbital analysis
silicon surfaces
Online Access:http://www.mdpi.com/2304-6740/6/1/17

Internet

http://www.mdpi.com/2304-6740/6/1/17

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