范德瓦尔斯力
石墨烯
超晶格
凝聚态物理
方向错误
材料科学
范德瓦尔斯株
氮化硼
六方氮化硼
范德瓦尔斯半径
化学物理
纳米技术
化学
物理
量子力学
分子
微观结构
晶界
冶金
作者
M. Neek-Amal,F. M. Peeters
摘要
The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moiré pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction.
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