Interfacial interaction mechanism of graphene/phenolic resin composites: A molecular dynamics study. Issue 1 (January 2021)

• Record Type: Journal Article
• Authors: Bian, C; Yan, N; Zhu, G W; Qu, H J; Guan, Y W; Li, H Y; Luan, T; Gong, J L
• Is Part Of: Journal of physics. Volume 1765:Issue 1(2021)
• Publication Date: 2021-01
• Subjects: Physics -- Congresses; 530.5
• DOI: 10.1088/1742-6596/1765/1/012005
• Languages: English
• ISSNs: 1742-6588

Abstract

Abstract: The outstanding thermal and mechanical properties of graphene/phenolic resin (G/PR) composites are largely related with the interfacial interactions. The interfacial properties of the G/PR composites were studied with molecular dynamics method, based on dozens of G/PR and graphene oxide/PR (GO/PR) interface models. The results showed that, p-π/π-π and hydrogen bond interactions are the main interactions between the G/PR and GO/PR interfaces, respectively. Strong interfacial interactions were formed between the crosslinked PRs and GO layer grafted with oxygen-containing groups. The obtained results will be beneficial to guide the design and preparation of G/PR composites with special performances.