Inorganic nanotubes and fullerenes structure and properties of hypothetical phosphorus fullerenes

G. Seifert, T. Heine, P. W. Fowler

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)

Abstract

The possibility of stable non-carbon fullerenes is discussed for the case of phosphorus fullerene-like cage structures. On the basis of Density Functional Tight Binding calculations it is shown that many such cages correspond to metastable structures, but with increasing nuclearity become less stable with respect to separate molecular P4 units. Stability rules, known for carbon fullerenes, such as the "isolated pentagon rule", do not reflect the different electronic and steric requirements of the phosphorus atom. The computational results tend to rule out phosphorus fullerenes.

Original languageEnglish
Pages (from-to)341-343
Number of pages3
JournalEuropean Physical Journal D
Volume8
Issue number3
DOIs
Publication statusPublished - 2001 Sep

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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