Direct imaging of intracage structure in titanium-carbide endohedral metallofullerene

Journal Article · Mon May 15 00:00:00 EDT 2006 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.73.1· OSTI ID:20788181

Sato, Yuta; Suenaga, Kazu ^[1]; Yumura, Takashi; Iijima, Sumio ^[1]; Moribe, Hiroe; Nishide, Daisuke; Ishida, Masashi; Shinohara, Hisanori ^[2]

---

1. Research Center for Advanced Carbon Materials, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8565 (Japan)
2. Department of Chemistry and Institute for Advanced Research, Nagoya University, Nagoya 464-8602 (Japan)

The Ti{sub 2}C{sub 2} intracage structures are unambiguously visualized in the single-molecule images of titanium-carbide endofullerene (Ti{sub 2}C{sub 2})-C{sub 78} by high-resolution transmission electron microscopy (HR-TEM). At least two configurations of Ti{sub 2}C{sub 2} are predicted for the energetically favorable (Ti{sub 2}C{sub 2})-C{sub 78} isomers by the density functional theory calculations, and found to show quite good agreement with the observed HR-TEM images.

• OSTI ID: 20788181
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 73, Issue 19; Other Information: DOI: 10.1103/PhysRevB.73.193401; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
CONFIGURATION
DENSITY FUNCTIONAL METHOD
FULLERENES
IMAGES
MOLECULES
RESOLUTION
TITANIUM CARBIDES
TRANSMISSION ELECTRON MICROSCOPY