INTERSTITIAL STRING MODEL FOR DEFECTIVE GRAPHITES

被引:17
作者
HEGGIE, MI
机构
[1] Department of Computer Science, University of Exeter, Exeter, EX4 4PT, Prince of Wales Road
关键词
POINT DEFECTS; THEORY; GRAPHITE; DISORDERED CARBON;
D O I
10.1016/0008-6223(92)90108-9
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
The carbon atoms in defective graphites are arranged mainly in layers, with a spacing that is sample dependent and larger than that in high-perfection graphites. The generally accepted explanation for this variation is that the larger separations in more disordered graphite arise from poorer mutual orientation of the graphite layers ("turbostratic disorder"). Computer models of interstitials in supercells show that strings of interstitials along the hexagonal axis are unusually stable and might better explain the spacings observed and other properties, certainly for neutron-irradiated graphite, but possibly also for other graphites.
引用
收藏
页码:71 / 74
页数:4
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