First-Principles Modeling for DNA Bases via Monolayer MoS2 Sensor with a Nanopore

Lately, molybdenum disulfide (MoS
2
) has drawn massive interest in the biomolecular detection field due to its notable optoelectronic characteristics and its wide surface area. Here, we study a novel monolayer MoS
2
sensor with gold electrodes where a nanopore is placed in the middle of the MoS
2
sheet which enables quick, selective, and sensitive DNA nucleobase detection. The MoS
2
sensor exhibits distinguishable electronic properties for the different DNA nucleobases (Cytosine, Adenine, Thymine, and Guanine). Non-equilibrium Green’s function integrated with density functional theory is utilized to inspect the detection mechanism. This research can promote a novel sensing platform utilizing MoS
2
.