Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study.

This confirms that the high polarizability of fullerene derivatives is governed by the polarizable nature of the delocalized π electrons of the C 60 moiety. Furthermore, as shown in Figure 5 , there is a clear trend between the size and ε ∞ of the fullerene derivatives: The larger the side chain, the lower ε ∞ will be.

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