Comment on "orbital interactions between a C60 molecule and Cu(111) surface"

Jaehoon Jung, Young Kyu Han

Research output: Contribution to journalReview articlepeer-review

Abstract

The interaction between Cu clusters and C60 molecule, to explain the nature of the C60-Cu(111) bonding, and the oriental configuration of a C60 molecule on a Cu surface was investigated. Large electron energies were calculated for the edge-atom and 6-6 bond models. These models show that electron transfer takes place predominantly form C 60 to Cu clusters. The resulsts show that basis set superposition error (BSSE) can be used with density functional calculations.

Original languageEnglish
Pages (from-to)8089-8090
Number of pages2
JournalJournal of Physical Chemistry B
Volume108
Issue number23
DOIs
StatePublished - 10 Jun 2004

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