Irida-graphene: A new 2D carbon allotrope

FlatChem(2023)

引用 5|浏览9
暂无评分
摘要
•A new 2D all-sp2 carbon allotrope, named Irida-Graphene (IG), using a bottom-up approach.•Density functional theory (DFT) calculations and reactive (ReaxFF) molecular dynamics simulations to examine its mechanical, structural, electronic, and optical properties.•IG exhibits good dynamical and thermal stabilities, with estimated elastic modulus varies between 80 and 113 GPa.•IG is a metallic material and presents a Dirac cone above the Fermi level in the center of the band.
更多
查看译文
关键词
New 2D carbon allotrope,Electronic structure,Mechanical and thermal properties,Density functional theory,Reactive molecular dynamics
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