Interface-Controlled Thermal Rectification Phenomenon of Monolayer Graphene/Boron Nitride Heterosheet

SY Zhuang and YD Liu, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 11, 9731-9737 (2020).

DOI: 10.1021/acs.jpclett.0c02993

Thermal rectification (TR) in graphene/boron nitride (GBN) monolayer heterosheets containing various types of interfacial structures has been studied using molecular dynamic simulations. The TR effect is ascribed to the asymmetric heat flow caused by mismatched PDOS of graphene and BN in the boundary. Additionally, the dependences of TR effects on boundary structures and defects are discussed. At a temperature difference of 240 K and interfacial chirality angle of 30 degrees, a TR ratio as high as 334% is obtained. Our studies prove that the TR effect of GBN could be effectively regulated by controlling the interfacial structures and defects, and our analyses provide guidance on the structural designs of unique thermal management materials.

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