A. Curioni, W. Andreoni
IBM J. Res. Dev
Theory and experiment on NaxC60 agree that there is an anomalous trend as well as a limitation in the charge transfer from the sodiums to C60, for x > 6. As revealed by both ab initio calculations and electron energy loss spectroscopy, the origin lies in the formation of interstitial states that trap a part of the excess electrons and that are neither C60-nor sodium-derived. This may well be a general characteristic of heavily doped intercalated fullerides and other cluster-based solid compounds.
A. Curioni, W. Andreoni
IBM J. Res. Dev
W. Andreoni
Zeitschrift für Physik D Atoms, Molecules and Clusters
Ph. Ferrara, A. Curioni, et al.
J. Chem. Inf. Model.
P. Ballone, W. Andreoni, et al.
EPL