Extended polymerization in ABC-stacked C sub(70) fullerite

• Published in: Carbon (New York) Vol. 82; pp. 599 - 603
• Main Authors: Marques, L, Skorokhod, Y, Soares, R
• Format: Journal Article
• Language: English
• Published: 01-02-2015
• Subjects: Carbon; Cycloaddition; Density functional theory; Diffraction; Frustration; Planes; Polymerization; Running; X-rays
• ISSN: 0008-6223
• DOI: 10.1016/j.carbon.2014.11.063

This letter reports on the extended polymerization occurring in ABC-stacked C sub(70) fullerite, which up to now was thought to occur only in the AB-stacked phase. Frustration effects on ABC close-packing of C sub(70) molecules were believed to prevent extended polymerization based on 2 + 2 cycloaddition bonds, but here we show that an extended polymeric phase is obtained at 10 GPa and 270 [degrees]C. Its structure, obtained by Rietveld analysis of the X-ray diffraction data combined with density functional theory methods, consists of zigzag chains running within the dense hexagonal (101) pyramidal planes.