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June 3, 2026Physical Chemistry Chemical Physics0 citations

Intercalation of DNA Nucleobases inside Bilayer Graphene and Bilayer MoS₂: A Comparative DFT Study

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AHArzoo HassanAMAndleeb MehmoodFTFareesa Tasneem Tahir

Key Points

  • The study aims to understand how DNA nucleobases intercalate within bilayer graphene and bilayer MoS₂.
  • Utilized density functional theory (DFT) to analyze intercalation processes.
  • Compared interaction energies and structural parameters of DNA bases in both materials.
  • Investigated the electronic properties resulting from base intercalation.
  • Adenine shows the highest binding energy with bilayer graphene compared to other bases.
  • Bilayer MoS₂ exhibits significant electronic modulation upon DNA base intercalation.
  • Differential binding strengths suggest varying potential for biosensing applications.

Abstract

The detection and discrimination of DNA bases (adenine, guanine, cytosine, and thymine) are foundational to genomics, diagnostics, and biotechnology. Two-dimensional (2D) layered materials, particularly bilayer graphene (BLG) and bilayer molybdenum...

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Cite This Study

Hassan et al. (2026) studied this question.

synapsesocial.com/papers/6a1fc42cdee9eb8c0dce5c31https://doi.org/10.1039/d6cp01488g
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