Journal
PHYSICAL REVIEW LETTERS
Volume 109, Issue 26, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.109.266802
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Funding
- W. M. Keck Foundation through the W. M. Keck Center for Nanoscale Molecular Electronics
- W. M. Keck Foundation through the W. M. Keck Center for Molecular Machines
- DOE-BES Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-09ER16056, NSFC21003113, NSFC21121003]
- Foundation for outstanding thesis of CAS [2030020014]
- Fundamental Research Funds for the Central Universities [WK2030020017, WK2340000011, WK2340000034]
- MOST [2011CB921404]
- DOE Office of Biological and Environmental Research
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By scanning tunneling microscopy and spectroscopy, we study nearly free electron band formation of the sigma* lowest unoccupied molecular orbital of C6F6 on a Cu(111) surface. In fractal islands, the lowest unoccupied molecular orbital energy systematically stabilizes with the number of interacting near-neighbor C6F6 molecules. Density functional theory calculations reveal the origin of effective intermolecular orbital overlap in the previously unrecognized superatom character of the sigma* orbital of C6F6 molecules. The discovery of superatom orbitals in planar molecules offers a new universal principle for effective band formation, which can be exploited in designing organic semiconductors with nearly free electron properties. DOI: 10.1103/PhysRevLett.109.266802
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