The reduction of interfacial friction in commensurately stacked two-dimensional layered materials is important for their application in nanoelectromechanical systems. Our first-principles calculations on the sliding energy corrugation and friction at the interfaces of commensurate fluorinated-graphene/h-BN and oxidized-graphene/h-BN heterostructures show that the sliding energy barriers and shear strengths for these heterostructures are approximately decreased to 50% of those of commensurate graphene/h-BN. The adsorbed F and O atoms significantly suppress the interlayer electrostatic and van der Waals energy corrugations by modifying the geometry and charge redistribution of the graphene layers. Our empirical registry index models further reveal the difference between the roles of the F and O atoms in affecting the sliding energy landscapes, and are also utilized to predict the interlayer superlubricity in a large-scale oxidized-graphene/h-BN system. Surface functionalization is a valid way to control and reduce the interlayer friction in commensurate graphene/h-BN heterostructures.
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Reduction of interfacial friction in commensurate graphene/h-BN heterostructures by surface functionalization.
Nanoscale
January 2016
State Key Laboratory of Mechanics and Control of Mechanical Structures and MOE Key Laboratory for Intelligent Nano Materials and Devices, Institute of Nanoscience, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China.
The reduction of interfacial friction in commensurately stacked two-dimensional layered materials is important for their application in nanoelectromechanical systems. Our first-principles calculations on the sliding energy corrugation and friction at the interfaces of commensurate fluorinated-graphene/h-BN and oxidized-graphene/h-BN heterostructures show that the sliding energy barriers and shear strengths for these heterostructures are approximately decreased to 50% of those of commensurate graphene/h-BN. The adsorbed F and O atoms significantly suppress the interlayer electrostatic and van der Waals energy corrugations by modifying the geometry and charge redistribution of the graphene layers.
View Article and Find Full Text PDFDirect growth of large-area graphene and boron nitride heterostructures by a co-segregation method.
Nat Commun
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Center for Nanochemistry, Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871, China.
Graphene/hexagonal boron nitride (h-BN) vertical heterostructures have recently revealed unusual physical properties and new phenomena, such as commensurate-incommensurate transition and fractional quantum hall states featured with Hofstadter's butterfly. Graphene-based devices on h-BN substrate also exhibit high performance owing to the atomically flat surface of h-BN and its lack of charged impurities. To have a clean interface between the graphene and h-BN for better device performance, direct growth of large-area graphene/h-BN heterostructures is of great importance.
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