Insertion of Xe and Kr atoms into C60 and C70 fullerenes and the formation of dimers

Tsutomu Ohtsuki, Kaoru Ohno, Keiichiro Shiga, Yoshiyuki Kawazoe, Yutaka Maruyama, Kazuyoshi Masumoto

Research output: Contribution to journalArticlepeer-review

96 Citations (Scopus)

Abstract

The radioactive endohedral fullerenes 127Xe@C60, 127Xe@C70, 79Kr@C60, and 79Kr@C70, and their dimers, are detected using radiochemical and diochromatographic techniques in the final solution of samples in which Xe or Kr has penetrated into C60 or C70 by a nuclear reaction recoil process. Carrying out ab initio molecular dynamics simulations based on an all-electron mixed basis approach, we confirmed that the insertion of Xe and Kr atoms into C60 through six-membered rings is possible in a certain range of the kinetic energy: 130-200 eV for Xe and 80-150 eV for Kr.

Original languageEnglish
Pages (from-to)967-970
Number of pages4
JournalPhysical Review Letters
Volume81
Issue number5
DOIs
Publication statusPublished - 1998 Jan 1

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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