Correlation between atomic rearrangement in defective fullerenes and migration behavior of encaged metal ions

Yuta Sato, Takashi Yumura, Kazu Suenaga, Koki Urita, Hiromichi Kataura, Takeshi Kodama, Hisanori Shinohara, and Sumio Iijima

Phys. Rev. B 73, 233409 – Published 30 June 2006

Abstract

Migration behavior of ${Gd}^{3 +}$ and ${Ca}^{2 +}$ ions inside $C_{82}$ fullerene cages with irradiation-induced atomic defects is observed using in situ high-resolution electron microscopy. The encapsulated ${Gd}^{3 +}$ ion can easily leave the fullerene cage through the defect, whereas the ${Ca}^{2 +}$ ion remains inside the defective cage. Density functional theory calculations prove that this atomic behavior closely correlates with the rearrangement of carbon atoms in defective fullerene cages. The ${Gd}^{3 +}$ ion disturbs the self-restoration of the defective cage and assists its polymerization, but such effects are not found for the ${Ca}^{2 +}$ ion.

Received 23 February 2006

DOI:https://doi.org/10.1103/PhysRevB.73.233409

Authors & Affiliations

Yuta Sato^1,*, Takashi Yumura^1,2, Kazu Suenaga^1,†, Koki Urita¹, Hiromichi Kataura³, Takeshi Kodama⁴, Hisanori Shinohara^5,6, and Sumio Iijima^1,2

¹Research Center for Advanced Carbon Materials, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8565, Japan
²Department of Materials Science and Engineering, Meijo University, Nagoya, 468-8502, Japan
³Nanotechnology Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8562, Japan
⁴Department of Chemistry, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397, Japan
⁵Department of Chemistry, Nagoya University, Nagoya 464-8602, Japan
⁶Institute for Advanced Research and CREST, Nagoya University, Nagoya 464-8602, Japan

^*Electronic address: yuta-sato@aist.go.jp
^†Electronic address: suenaga-kazu@aist.go.jp

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Issue

Vol. 73, Iss. 23 — 15 June 2006

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Physical Review B

covering condensed matter and materials physics