New Volleyballenes: Y20C60, La20C60, and Lu20C60

Jing Wang; Ying Liu

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arXiv · 1505.07542

New Volleyballenes: Y20C60, La20C60, and Lu20C60

Jing Wang·Ying Liu

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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.

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Jing Wang, Ying Liu. 2015-05-28. New Volleyballenes: Y20C60, La20C60, and Lu20C60. https://arxiv.org/abs/1505.07542

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