@misc{10481/91973,
year = {2024},
month = {2},
url = {https://hdl.handle.net/10481/91973},
abstract = {In pursuit of fast, cost-effective, and reliable DNA sequencing techniques, a variety of two-dimensional (2D) material-based nanodevices such as solid-state nanopores and nanochannels have been explored and established. Given the promising potential of graphene for the design and fabrication of nanobiosensors, other 2D carbon allotropes such as graphyne and graphdiyne have also attracted a great deal of attention as candidate materials for the development of sequencing technology. Herein, employing the 2D electronic molecular spectroscopy (2DMES) method, we investigate the capability of graphdiyne nanoribbons (GDNRs) as the building blocks of a feasible, precise, and ultrafast sequencing device. Using first-principles calculations, we study the adsorption of four canonical nucleobases (NBs), i.e., adenine (A), cytosine (C), guanine (G), and thymine (T) on an armchair GDNR (AGDNR). Our calculations reveal that compared to graphene, graphdiyne demonstrates more distinct binding energies for different NBs, indicating its more promising ability to unambiguously recognize DNA bases. Utilizing the 2DMES technique, we calculate the differential conductance (Δg) of the studied NB−AGDNR systems and show that the resulting Δg maps, unique for each NB−AGDNR complex, can be used to recognize each individual NB without ambiguity. We also investigate the conductance sensitivity of the proposed nanobiosensor and show that it exhibits high sensitivity and selectivity toward various NBs. Thus, our proposed graphdiyne-based nanodevice would hold promise for next-generation DNA sequencing technology.},
organization = {Horizon 2020 Framework Programme,
H2020 Excellent Science, H2020 Marie Skłodowska-Curie
Actions, 841673, project PID2021-125604NB-I00 (AEI/FEDER, UE) and B-FQM-272-UGR20},
organization = {AEI and FEDER under project PID2021-125604NB-I00
(AEI/FEDER, UE)},
organization = {Programa Operativo FEDER
of Andalucía
2014-2020 under projects PY18-4834 and BFQM-272-UGR20},
organization = {Funding for open access charge: Universidad de
Granada/CBUA.},
publisher = {American Chemical Society},
keywords = {Graphdiyne},
keywords = {DNA sequencing},
keywords = {Molecular electronics spectroscopy},
title = {Using Graphdiyne Nanoribbons for Molecular Electronics Spectroscopy and Nucleobase Identification: A Theoretical Investigation},
doi = {10.1021/acsaelm.3c01607},
author = {Reza Rezapour, M. and Biel Ruiz, Blanca},
}