Disintegration Of Graphene Nanoribbons In Large Electrostatic Fields
PHYSICAL CHEMISTRY CHEMICAL PHYSICS(2014)
摘要
The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its stability range. Zigzag edges terminated by various functional groups are considered. By analyzing the phonon spectrum, the critical fracture field for each edge structure is obtained. It is found that different terminal groups on the zigzag graphene nanoribbons lead to different fracture patterns at different fracture fields. The failure mechanism is demonstrated to involve both the carbon bond alternation feature across the ribbon and the terminal group electronegativity.
更多查看译文
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