Adsorption of DNA Bases on Two-Dimensional Boron Sheets

Utilizing two-dimensional (2D) sheets for DNA fingerprinting applications is an active field of research, with extensive research being carried out on graphene, h-BN and transition metal dichalcogenides. In this theoretical study we propose the newly discovered 2D boron sheets (α, α <inf>1</inf> and β <inf>1</inf> sheets) as a promising adsorbate material for DNA fingerprinting applications. The relatively high binding energies of the DNA bases Adenine (A), thymine (T), guanine (G) and cytosine (C) and the DNA base pairs A:T and G:C on the sheets suggest stabilization of the DNA constructs on these sheets. The stabilization energies were found to be higher in comparison with graphene sheets. The stabilization of the adsorbed nucleobases were found to be mediated by Van-der Waals interaction, with no direct chemical bond being formed between the DNA bases and the sheets, similar to the scenario in graphene and h-BN sheets. Physisorption of the DNA bases was also reflected in the relatively small changes in the work function after adsorption.