之字形的
单层
GSM演进的增强数据速率
密度泛函理论
材料科学
石墨烯
凝聚态物理
压力(语言学)
极限抗拉强度
石墨烯纳米带
压缩(物理)
复合材料
计算化学
纳米技术
化学
几何学
物理
数学
哲学
电信
语言学
计算机科学
作者
Zenan Qi,Penghui Cao,Harold S. Park
摘要
We utilize density functional theory to calculate the edge energy and edge stress for monolayer MoS2 nanoribbons. In contrast to previous reports for graphene, for both armchair and zigzag chiralities, the edge stresses for MoS2 nanoribbons are found to be tensile, indicating that their lowest energy configuration is one of compression in which Mo-S bond lengths are shorter than those in a bulk, periodic MoS2 monolayer. The edge energy and edge stress is found to converge for both chiralities for nanoribbon widths larger than about 1 nm.
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