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Abstract

The interface dynamic behavior of borophene is one of the issues that need investigating for its applications. In this paper, the interaction between graphene and borophene, h-BN is investigated. The results show that the interactions between C atoms and B atoms are weaker than those between C atoms and N atoms when graphene slides on h-BN substrate. The corrugation of interface potential between graphene and borophene is smaller than between graphene and h-BN, which implies smaller friction. Moreover, the pull-out force in the simulation system including graphene and borophene is smaller than the interaction between graphene and h-BN, which indicates a weaker boundary effect. Therefore, borophene promises to exhibit an excellent tribological behavior in application.

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Authors and contacts

Chen Yong,
Li Rui

Corresponding author:Li Rui,lirui@ustb.edu.cn

Funds:Project supported by the National Natural Science Foundation of China (Grant No. 51475039).

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模型	原子	σ/nm	ε/kJ·mol^–1
Graphene/h-BN	C—B	0.343	0.329
Graphene/h-BN	C—N	0.338	0.407
Graphene/Borophene	C—B	0.343	0.329

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Vol. 68, Issue 18 - 2019-09-20

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