ArticlePolymers2022
Effect of Electrostatic Interactions on the Interfacial Energy between Thermoplastic Polymers and Graphene Oxide: A Molecular Dynamics Study.
Article in Polymers, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Hybrid Interfaces of 2D Materials with Polymers for Emerging Electronics and Energy Devices.Materials (Basel, Switzerland) · 2026Review
- Molecular dynamics insights into the interactions of biocompatible synthetic polymer composites with carbon-based nanoparticle derivatives: a comparative study of PLGA and PCL interactions with GO/rGO.Journal of computer-aided molecular design · 2025Article
- Optimizing Biodegradable Poly(D,L-lactide) Scaffolds Reinforced with Graphene Oxide for Bone Tissue Regeneration.Biomimetics (Basel, Switzerland) · 2025Article
- Polymers in Physics, Chemistry and Biology: Behavior of Linear Polymers in Fractal Structures.Polymers · 2024Review
- Molecular Dynamics Simulation of Cumulative Microscopic Damage in a Thermosetting Polymer under Cyclic Loading.Polymers · 2024Article
- A comparative study of deep eutectic solvents based on fatty acids and the effect of water on their intermolecular interactions.Scientific reports · 2024Article
- A Molecular Dynamics Simulation for Thermal Activation Process in Covalent Bond Dissociation of a Crosslinked Thermosetting Polymer.Molecules (Basel, Switzerland) · 2023Article
- Molecular Dynamics Simulation of the Interfacial Shear Properties between Thermoplastic Polyurethane and Functionalized Graphene Sheet.Polymers · 2022Article
- Evaluation of Microscopic Damage of PEEK Polymers under Cyclic Loadings Using Molecular Dynamics Simulations.Polymers · 2022Article
- Adhesion of Bis-Salphen-Based Coordination Polymers to Graphene: Insights from Free Energy Perturbation Study.Polymers · 2022Article
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5 authors.
Funding
Abstract
In this study, the atomistic-scale mechanisms affecting the interfacial stability of a thermoplastic polymer/graphene oxide interface are investigated using molecular dynamics simulations. Different combinations of thermoplastic polymers (polyethersulfone (PES) and polyetherimide (PEI)) and graphene oxides modified with -O-, -OH, and -COOH are prepared. PES is found to be more strongly stabilized with modified/functionalized graphene oxide in the order of -COOH, -OH, -O-, which is opposite to the stability order of PEI. Our results suggest that these orders of stability are governed by a balance between the following two factors resulting from electrostatic interactions: (1) atoms with a strong charge bias attract each other, thereby stabilizing the interface; (2) the excluded-volume effect of the functional groups on graphene oxide destabilizes the interface by preventing π-π stacking of aromatic rings.
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