Extended polymerization in ABC-stacked C70 fullerite

被引:11
作者
Marques, L. [1 ,2 ]
Skorokhod, Y. [1 ,2 ]
Soares, R. [2 ,3 ]
机构
[1] Univ Aveiro, Dept Fis, P-3810 Aveiro, Portugal
[2] Univ Aveiro, CICECO, P-3810 Aveiro, Portugal
[3] Univ Aveiro, Lab Cent Anal, P-3810 Aveiro, Portugal
关键词
PHOTOINDUCED POLYMERIZATION; PHASE-TRANSITIONS; SOLID C-70; PRESSURE;
D O I
10.1016/j.carbon.2014.10.063
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
This letter reports on the extended polymerization occurring in ABC-stacked C-70 fullerite, which up to now was thought to occur only in the AB-stacked phase. Frustration effects on ABC close-packing of C-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. (C) 2014 Elsevier Ltd. All rights reserved.
引用
收藏
页码:599 / 603
页数:5
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