DNA sequencing via Z-shaped graphene nano ribbon field effect transistor decorated with nanoparticles using first-principle transport simulations

Abstract

DNA detection has revolutionized medical and biological research fields. It provides a wealth of medical information for each individual, which can be used in a personalized medicinal procedure in the future. Genome sequence helps to enhance our perception of inheritance, disease, and individuality. This work aims to improve DNA sequencing accuracy and the overall current signal using a novel nano pore based sensor that is developed to detect and identify the DNA bases. Herein, a novel z-shaped field effect transistor with a nano pore for the aim of DNA detection is studied, where a gate terminal is added below the center of the z-shaped graphene nano ribbon. First-principle transport calculations are used to identify the DNA bases and electronic signature. An efficient density functional theory approach combined with non-equilibrium Green's function formalism (DFT + NEGF) are utilized to detect the transmission spectrum and current for DNA nucleo bases: Adenine, Thymine, Guanine, and Cytosine. Using transmission current, a distinctive electronic signature is generated for each DNA base to detect each DNA sequence. Various orientations and lateral position for each DNA base are considered. Moreover, the effect of decorating the developed DNA sensor with gold and silver nanoparticles on the sensor's electrical current and transmission spectra is studied and analyzed. The results suggest that the z-shaped sensor could achieve DNA sequencing with high accuracy. The practical implementation of this work represents the capability to anticipate and cure diseases from the genetic makeup perspective.

Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

“…The simulations were the band structure, density of states (DOS), and projected density of states (PDOS). The average bond length of B-N bonds after configuration optimization was 1.44, which is consistent with similar theoretical estimations for BNNTs [33]. Figure 2 shows the pure BNNT data, with Figure 2a showing the band structure for (5,5) BNNT.…”

A first-principles study of the ultra-high spin rectification effect based on nitride MXenes (Sc2NO2, Ti2NO2)

“…The energy cut-off for the planewave basis set is 150 Ry, and the k-point mesh in the Brillouin zone is 10 Â 10 Â 1 when the total energy of the systems is relatively low. [41][42][43] The corresponding convergence test is shown in Fig. S1 (ESI †).…”

“…DFT calculations were performed using the Quantum ATK packages combined with the Non-equilibrium Green's Function (NEGF) method. 42 For the structural relaxation of M 2 NO 2 , the energy convergence criterion is 1 × 10 −5 eV, and the ion step relaxation convergence criterion is 0.02 eV Å −1 of the residual force on the atom. The energy cut-off for the plane-wave basis set is 150 Ry, and the k -point mesh in the Brillouin zone is 10 × 10 × 1 when the total energy of the systems is relatively low.…”

Detection of DNA Bases via Field Effect Transistor of Graphene Nanoribbon With a Nanopore: Semi-Empirical Modeling

“…Furthermore, the high conductance of graphene enables high current as compared with ionic current [28,30,31]. Therefore, graphene based FETs are anticipated to offer high signal to noise ratio and fast sequencing [28,32].…”