Superatom orbitals of Sc₃N@C₈₀ and their intermolecular hybridization on Cu(110)-(2x1)-O surface
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics, 81(8):085434
We investigate the electronic structure of an endohedral fullerene, Sc₃N@C₈₀, chemisorbed on Cu(110)-(2x1)-O surface by scanning tunneling microscopy and density-functional theory. Scanning tunneling microscopy and spectroscopy identify a series of delocalized atomlike superatom molecular orbitals (SAMOs) in the Sc₃N@C₈₀ and its aggregates. By contrast to C60, the encapsulated Sc₃N cluster in Sc₃N@C₈₀ distorts the nearly-spherical central potential of the carbon cage, imparting an asymmetric spatial distribution to the SAMOs. When Sc₃N@C₈₀ molecules form dimers and trimers, however, the strong intermolecular hybridization results in highly symmetric hybridized SAMOs with clear bonding and antibonding characteristics. The electronic-structure calculations on Sc3N@C80 and its aggregates confirm the existence of SAMOs and reproduce their hybridization as observed in the experiment.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1001477
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, 81(8):085434, Journal Name: Physical Review. B, Condensed Matter and Materials Physics, 81(8):085434 Journal Issue: 8 Vol. 81; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
Similar Records
Energy stabilization of the -symmetry superatom molecular orbital by endohedral doping of C fullerene with a lanthanum atom
The Electronic Properties of Superatom States of Hollow Molecules
The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites
Journal Article
·
Thu Aug 01 00:00:00 EDT 2013
· Physical Review. B, Condensed Matter and Materials Physics
·
OSTI ID:1233795
The Electronic Properties of Superatom States of Hollow Molecules
Journal Article
·
Tue May 17 00:00:00 EDT 2011
· Accounts of Chemical Research, 44(5):360-368
·
OSTI ID:1023178
The Superatom States of Fullerenes and Their Hybridization into the Nearly Free Electron Bands of Fullerites
Journal Article
·
Tue Apr 07 00:00:00 EDT 2009
· ACS Nano, 3(4):853-864
·
OSTI ID:966648