新型炭材料2020，Vol.35Issue(2)：165-175,11.DOI:10.1016/S1872-5805(20)60482-6
多空位缺陷对石墨烯/H-BN超晶格纳米结构力学性能的影响
Effects of vacancy defects on the mechanical properties of graphene/hexagonal BN superlattice nanoribbons
摘要
Abstract
Two kinds of vacancy defects,rhombic and square nanoholes,were produced in graphene/hexagonal BN (g/h-BN) superlattice nanoribbons by ion irradiation.The effects of the type (rhombus and square),area,number density and position of the nanoholes,and the period length of the nanoribbons on their mechanical properties were investigated by molecular dynamics simulation.The results show that the failure strength and strain of the nanoribbons are more sensitive to vacancy defects than is the Young's modulus.The mechanical properties are insensitive to the period length of the nanoribbons and those with rhombus nanoholes have inferior mechanical properties to those with square nanoholes under the same conditions.The mechanical properties of the nanoribbons are largely affected by the positions of the nanoholes,such that they should be in the graphene and not in boron nitride as much as possible.By increasing the number density of the nanoholes,the toughness of the nanoribbons is increased.关键词
石墨烯/六方氮化硼/分子动力学/离子辐照/超晶格纳米结构中的纳米孔/力学性能Key words
Graphene/hexagonal boron nitride/Molecular dynamics/Ion irradiation/Nanopore in superlattice nanostructure/Mechanical properties分类
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樊磊,姚文娟..多空位缺陷对石墨烯/H-BN超晶格纳米结构力学性能的影响[J].新型炭材料,2020,35(2):165-175,11.基金项目
国家自然科学基金(11572186).National Natural Science Foundation of China (11572186). （11572186）
