Three Dimensional Carbon-Nanotube Polymers
Eight fascinating sp2-and sp3-hybridized carbon allotropes have been uncovered using a newly developed ab into partide-swarm optimization methodology for crystal structure prediction.These crystalline allotropes can be viewed respectively as three-dimensional (3D) polymers of (4,0),(5,0),(7,0),(8,0),(9,0),(3,3),(4,4),and (6,6) carbon nanotubes,termed 3D-(n,0) or 3D-(n,n) ca rbons.The ground-state energy calculations show that the carbons all have lower energies than C60 fullerene,and some are euergetically more stable than the van der Waals packing configurations of their nanotube parents.Owing to their unique configurations,they have distinctive electronic properties,high Youngs moduli,high tensile strength,ultrahigh hardness,good ductility,and low density,and may be potentially applied to a variety of needs.
3D nanotube polymers low energy low density distinctive electronic properties superior mechanical properties
Zhisheng Zhao Bo Xu Li-Min Wang Xiang-Feng Zhou Julong He Zhongyuan Liu Hui-Tian Wang Yongjun Tian
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao School of Physics and Key Laboratory of Weak-Light Nonlinear Photonics, Ministry of Education, Nanka
国际会议
南京
英文
679-687
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）