The dominant role of N-containing side chains in peptide-mediated graphene dispersion and stabilization: A molecular dynamics simulation study

Rongqing Xia; Xiaoping Zeng; Dawei Wang; Qianqian Liu; Jiangyu Wu; Lu Cai

doi:10.1039/d6cp00101g

January 1, 2026Physical Chemistry Chemical Physics

The dominant role of N-containing side chains in peptide-mediated graphene dispersion and stabilization: A molecular dynamics simulation study

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Key Points

The research investigates how N-containing side chains in peptides facilitate the dispersion and stabilization of graphene in water.
Conducted molecular dynamics simulations to analyze interactions between peptides and graphene.
Evaluated the effect of different peptide side chains on graphene dispersion and stabilization in aqueous solutions.
Assessed aggregation tendencies of graphene in the presence of various peptides.
N-containing side chains significantly improve graphene dispersion in aqueous environments.
Peptides with specific side chains reduce aggregation compared to those without.
Simulation data indicate enhanced stability of graphene in water due to peptide interactions.

Implication

Molecular dynamics simulations reveal the role of peptides in improving graphene dispersion, suggesting effective processing strategies.

Abstract

Graphene exhibits exceptional physical properties, yet its strong interlayer van der Waals interactions and hydrophobic nature lead to severe aggregation in aqueous environments, limiting scalable processing. While peptideassisted dispersion offers...

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Cite This Study

Xia et al. (2026) studied this question.

synapsesocial.com/papers/69e474b6010ef96374d902f2 https://doi.org/10.1039/d6cp00101g

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The dominant role of N-containing side chains in peptide-mediated graphene dispersion and stabilization: A molecular dynamics simulation study

Key Points

Implication

Abstract

Discussion

Cite This Study

The dominant role of N-containing side chains in peptide-mediated graphene dispersion and stabilization: A molecular dynamics simulation study

Key Points

Implication

Abstract

Discussion

Cite This Study

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