Bonding Nature and Structural Phase Transition in Fullerene Based Nanomaterials

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Abstract:

Rare-earth-metal-doped fullerides with a nominal composition of R3C70 (R = Sm, Eu, Yb) adopt a pseudomonoclinic structure in which C70 dimers glued with rare-earth ions are involved. High-temperature powder X-ray diffraction experiments revealed that the dimers undergo reversible first-order structural phase transitions, associated with reduction of the unit cell volume, similar to the results observed in previous high-pressure experiments. Structural analyses showed that C70 molecules are realigned to form closely packed structures, causing a reduction of volume at high temperature. The derived charge density map indicates that the transitions can be regarded as reversible structural changes from fullerene dimers to monomers. These features are ascribed to the unique bonding nature of rare-earth C70 compounds.

Keywords: CRYSTAL STRUCTURE ANALYSIS; FULLERENE; MEM/RIETVELD ANALYSIS

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jnn.2006.667

Publication date: December 1, 2006

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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