English

New Volleyballenes: Y20C60, La20C60, and Lu20C60

Materials Science 2015-05-29 v1

Abstract

New stable Volleyballenes Y20C60, La20C60, and Lu20C60 molecular clusters have been proposed using first-principles density functional theory studies. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a stable general class of fullerene family. All M20C60 (M=Y, La, and Lu) molecules have Th point group symmetries and relatively large HOMO-LUMO gaps.

Keywords

Cite

@article{arxiv.1505.07542,
  title  = {New Volleyballenes: Y20C60, La20C60, and Lu20C60},
  author = {Jing Wang and Ying Liu},
  journal= {arXiv preprint arXiv:1505.07542},
  year   = {2015}
}