ArticleApplied surface science2026
Polarization-Driven DNA Nucleobases Recognition on Germanium Sulfide Nanoribbon.
Article in Applied surface science, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Reliable, nucleobase-specific electronic readout remains a key bottleneck in DNA sequencing based on low-dimensional materials, where weak and nonselective interactions often yield signals too small to be distinguishable. To address this challenge, we perform first-principles density functional theory calculations using the PBE functional with Grimme's D3 dispersion correction to study the adsorption and sensing behavior of adenine (A), guanine (G), thymine (T), and cytosine (C) on armchair germanium sulfide nanoribbons (aGeS-NR). Pristine aGeS-NR exhibits a semiconducting band gap of 1.676 eV, which undergoes modest nucleobase-dependent modulation (1.654-1.676 eV) upon adsorption. Binding energies in the range of 0.628-0.798 eV confirm physisorption, following the hierarchy G > A > C > T. Although pyrimidines possess large intrinsic dipole moments overall, binding strength reflects a multifactorial interplay of dipole-surface polarization, electrostatic interactions, and charge redistribution. Charge transfer (0.116-0.159
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