New Volleyballenes: Y20C60 and La20C60

Sci Rep. 2016 Aug 4:6:30875. doi: 10.1038/srep30875.

Abstract

Two new stable Volleyballenes, the Y20C60 and La20C60 molecular clusters, are proposed on the basis of first-principles density functional theory. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a general class of stable molecules within the fullerene family. Both Y20C60 and La20C60 molecules have Th point group symmetries and relatively large HOMO-LUMO gaps.

Publication types

  • Research Support, Non-U.S. Gov't