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

Abstract

Lately, molybdenum disulfide (MoS2) 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 MoS2 sensor with gold electrodes where a nanopore is placed in the middle of the MoS2 sheet which enables quick, selective, and sensitive DNA nucleobase detection. The MoS2 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 MoS2.