Physisorption of DNA bases on finite-size nanoribbons from graphene, phosphorene, and silicene: Insights from density functional theory

TL;DR

This study uses density functional theory to compare how DNA bases interact with nanoribbons made from graphene, phosphorene, and silicene, finding phosphorene to be the most promising material for DNA sequencing applications.

Contribution

It provides a comparative analysis of DNA base interactions with different 2D nanoribbons, highlighting phosphorene's superior potential for sequencing.

Findings

Phosphorene shows stronger binding with DNA bases than graphene and silicene.

Phosphorene exhibits more favorable changes in electronic properties for sequencing.

Graphene's hydrophobicity hinders its effectiveness in DNA sequencing.

Abstract

The ability to detect and discriminate DNA bases by reading it directly using simple and cost-effective methods is an important problem whose solution can produce significant value for areas such as cancer and human genetic disorders. Two-dimensional (2D) materials have emerged as revolutionary materials for electronic DNA sequencing with strong potentials for fast, single-nucleotide direct-read DNA sequencing with a minimum amount of consumables. Among 2D materials, graphene is the most explored for DNA sequencing. This is due to its commercial availability. The major hindrance of graphene is its hydrophobicity, which causes DNA bases to stick to its surface, slowing down translocation speed, and making single-base discrimination difficult as multiple bases interact with graphene at any given time. It is therefore essential that other elemental 2D materials beyond graphene be investigated. Using density functional theory (DFT), we studied the electronic interaction of DNA bases physisorped onto the surface of nanoribbons from graphene, phosphorene, and silicene. By comparing the change in energy band gap, binding energy and density of states (DOS), we observe that phosphorene performs better than graphene and silicene for DNA sequencing using the physisorption modality.