Building efficient interfacial property with graphene heterogeneous interface

Hua, Yang; Tang, Yunqing; Yang, Ping

doi:10.1016/j.ijmecsci.2022.107782

Cited by 15 publications

(1 citation statement)

References 65 publications

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“…They reported that the shear strength and work of adhesion between graphene and SiO 2 were much higher than those between graphene and the Ni substrate due to differences in interfacial interactions and surface roughness. Yang et al 39 reported the mechanical properties between the graphene/Si interface and the graphene/SiC interface based on DFT and molecular dynamics simulations, and they found that covalent bonds preferentially occurred in the Si-terminated substrate and strain-released graphene. Although denser covalent bonds are formed in the graphene/SiC interface, the interfacial bonding strength of the graphene/Si interface is stronger.…”

Section: ■ Introductionmentioning

confidence: 99%

B, N, and Si Single-Doping at Graphene/Cu (111) Interfaces to Adjust Electrical Properties

Yang

2023

Langmuir

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We investigated the structural and electrical properties of B-, N-, and Si-doped graphene/Cu interfaces through density functional theory. B-doping enhances the interfacial bonding strength, N-doping has little effect on the interfacial interaction, and Si−Cu bonds are formed in the Si-doped interface. The energy bands and density of states show that the pristine and N-doped graphene/Cu interfaces exhibit n-type semiconductor properties, and the B-doped and Si-doped graphene/Cu interfaces exhibit p-type semiconductor properties. According to the Mulliken charge populations and charge properties, B-doping and Si-doping improve the ability of charge transport and orbital hybridization at the interface. Graphene doping has a significant effect on the interfacial work function. This result will help to understand the contact between B-, N-, and Si-doped graphene and Cu surfaces and to predict the performance of related micronano electronic devices.

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Section: ■ Introductionmentioning

confidence: 99%