The bonding sites and structure of C-60 on the Si(100) surface

The possible structures of C60 on the Si(1 0 0) surface have been investigated using ab initio total energy minimisations. The results show that fullerenes bond to the silicon surface by breaking carbon–carbon double bonds. One electron from the broken bond is contributed to the carbon–silicon bond....

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Bibliographic Details
Main Authors: P.D. Godwin, Steven Kenny, Roger Smith
Format: Default Article
Published: 2003
Subjects:
Other mathematical sciences not elsewhere classified
Condensed matter physics not elsewhere classified
Foundations of quantum mechanics
Computer simulations
Density functional calculations
Chemisorption
Silicon
Fullerenes
Quantum Mechanics
Mathematical Sciences not elsewhere classified
Condensed Matter Physics
Online Access:https://hdl.handle.net/2134/11636
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