Electronic properties of polymers including C60
β Scribed by Kazuyoshi Tanaka; Yukihito Matsuura; Yoshiaki Oshima; Tokio Yamabe
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 283 KB
- Volume
- 237
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The electronic properties of the polymer models involving C6o molecules incorporated into either polymer skeleton or side chain are first examined based on the one-dimensional (1D) tight-binding crystal orbital method in the framework of the extended Hiickel approximation. The band structure characteristic of each polymer model is discussed particularly with respect to the interruption of the w-conjugation of the rest of the main chain.
π SIMILAR VOLUMES
Molecular cluster calculations within the local density approximation have been performed in a study of the electronic structure of C& doped with K, where the K atom has been located inside or outside the cage. The results support our earlier calculations for endohedral KCso as well as those for end