A porous nanotube network structure of metallic carbon

被引:18
|
作者
Xing, Mengjiang [1 ,2 ]
Li, Xiaozhen [3 ]
机构
[1] Univ Elect Sci & Technol China, State Key Lab Elect Thin Films & Integrated Devic, Chengdu 610054, Peoples R China
[2] Univ Elect Sci & Technol China, Yangtze Delta Reg Inst Huzhou, Huzhou 313001, Peoples R China
[3] Kunming Univ, Dept Informat & Technol, Kunming 650214, Yunnan, Peoples R China
基金
中国国家自然科学基金;
关键词
Porous structure; Nanotube network; Metallic carbon; First principles calculation; ALLOTROPES; FRAMEWORK; SUPERHARD; DIAMOND; PHASE;
D O I
10.1016/j.rinp.2021.104579
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A porous nanotube network structure of carbon allotrope was designed, denoted as P4/mmm C-96. Besides its structure similar to carbon nanotubes, the most interesting thing about P4/mmm C-96 is that its band structure is metallic. The shear modulus G, Young's modulus E, and bulk modulus B of P4/mmm C-96 is 49.4 GPa, 128.6 GPa, and 107.8 GPa, respectively. Although the elastic modulus of P4/mmm C-96 is low, it is still larger than other carbon allotropes, such as TY-II carbon, TY carbon, fcc-C10, Y carbon, Y-II carbon. The elastic anisotropy in shear modulus G, Poisson's ratio nu, and Young's modulus E of P4/mmm C-96 are larger than that of other C-96 carbon allotropes, Finally, the elastic anisotropy of shear modulus of P4/mmm C-96 in (1 0 0) plane is the greatest, the elastic anisotropy of E of P4/mmm C-96 in (001) plane is the largest, while the elastic anisotropy in nu in (001) plane is the greatest.
引用
收藏
页数:9
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