Superprismane: A porous carbon allotrope

Chemical Physics Letters(2019)

引用 13|浏览9
暂无评分
摘要
In this study, a novel form of three-dimensional (3D) porous carbon allotropes (superprismane) was predicted and its thermal, mechanical as well as electronic properties were evaluated by means of first-principle density functional theory based calculations. Calculated cohesive energy (Ecoh), bulk modulus (B), shear modulus (G), Young’s modulus (E), Vickers hardness (Hυ) and phonon band dispersions at zero pressure reveal the excellent thermodynamical and mechanical stability of superprismane. Results show that, superprismane is superhard, ductile and semiconducting in nature. Further, superprismane comprises of low effective mass fermions and serves as potential candidate in blue to ultraviolet optoelectronic applications.
更多
查看译文
关键词
First-principle calculations,Carbon allotrope,Linear band dispersion,Semiconductor
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要