Adsorption of N@C-60 on Si(100)

The interactions between endohedrally doped N@C60 molecules and the Si(1 0 0) surface have been explored via ab initio total energy calculations. Configurations which have the cage located upon the dimer row bonded to two dimers (r2) and within the dimer trench bonded to four dimers (t4) have been i...

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Bibliographic Details
Main Authors: David J. King, Steven Kenny, E. Sanville
Format: Default Article
Published: 2009
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/2134/11620
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