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Identification of m...
Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy
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- Jiang, Jun (author)
- KTH,Teoretisk kemi
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Gao, B. (author)
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Hu, Z. P. (author)
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Lu, Wei (author)
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Wu, Z. Y. (author)
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Yang, J. L. (author)
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- Luo, Yi (author)
- KTH,Teoretisk kemi
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(creator_code:org_t)
- AIP Publishing, 2010
- 2010
- English.
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In: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 96:25, s. 253110-
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- We report hybrid density functional theory calculations for inelastic electron tunneling spectroscopy (IETS) of a single metallofullerene Gd@C-82. It is found that the metal atom inside the carbon cage can have significant impact on the IETS spectral profiles of the system, by modulating both the vibration and electron density. It is demonstrated that the IETS signals are very sensitive to the changes in the metal position and charge states, so that provide a unique tool for identifying the metal-cage coupling in metallofullerenes. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455905]
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- density functional theory
- electron density
- electron-phonon interactions
- fullerene compounds
- tunnelling spectra
- Physics
- Fysik
Publication and Content Type
- ref (subject category)
- art (subject category)
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