Record number :
1000107
Title of article :
Structural and chemical property of unsaturated cyclic-hydrocarbon molecules regularly chemisorbed on Si(0 0 1) surface
Author/Authors :
K. Akagi، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
6
From page :
162
To page :
167
Abstract :
The atomic configuration of C6H8 molecules chemisorbed on Si(0 0 1) surface is elucidated by the first-principles molecular dynamics method. The characteristic pattern in the STM image at 0.6 ML coverage is found to be reproduced by considerable thermal fluctuation of the molecules including the change in the molecular conformation. The reaction path and growth mechanism of the chemisorption region is also discussed based on static calculation of the activation barrier. # 2004 Elsevier B.V. All rights reserved
Keywords :
First-principles calculation , Molecular dynamics , Activation barrier , C6H8 , Si(0 0 1) , Chemisorption
Journal title :
Applied Surface Science
Journal title :
Applied Surface Science
Serial Year :
2004
Link To Document :
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