Electronic Properties of Fullerenes
β Scribed by Morii, K.; Fujikawa, C.; Kitagawa, H.; Iwasa, Y.; Mitani, T.; Suzuki, T.
- Book ID
- 126577896
- Publisher
- Taylor and Francis Group
- Year
- 1997
- Tongue
- English
- Weight
- 336 KB
- Volume
- 296
- Category
- Article
- ISSN
- 1542-1406
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methods used for determining energy-optimized electronic structure and calculation of vibrational spectra, is presented. Further, theoretical and spectroscopic investigations of individual endohedral fullerenes are discussed. Such studies provide structural information about the carbon cage, positio
We investigate the structural and electronic properties of K n C 60 (n 6 12) clusters in the framework of density-functional theory. The behavior of the potassium atoms over the C 60 surface is analyzed. For K 12 C 60 , potassium atoms are found to form 4-atom islands on the surface. The charge tran