富勒烯
聚合物
共价键
材料科学
聚合
六方晶系
化学物理
格子(音乐)
纳米技术
化学
结晶学
有机化学
物理
声学
复合材料
作者
Susumu Okada,Susumu Saito
标识
DOI:10.1016/s0009-2614(00)00292-x
摘要
We report on new stable polymerized fullerites consisting of large fullerenes. Using the empirical many-body model potential for C atoms, we find that C74 and C78(C2v′) fullerenes possess stable infinite covalent networks in which C74 and C78 fullerenes form two-dimensional hexagonal lattice and one-dimensional chain, respectively. These phases are lower in energy than C60 polymers known to date. Moreover, in each case, the energy gain upon the interfullerene-bond formation is larger than that of the C60 polymer. Also their dimers, (C74)2 and (C78)2, are found to be highly stable. Based on the tight-binding study, they are both found to be semiconducting.
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