Single-molecule DNA sequencing using two-dimensional Ti2C(OH)2 MXene nanopores: A first-principles investigation

Abstract Nanopore-based devices have provided exciting opportunities to develop affordable label-free DNA sequencing platforms. Over a decade ago, graphene has been proposed as two-dimensional (2D) nanopore membrane in order achieve single-base resolution. However, it was experimentally revealed that clogging of the can occur due hydrophobic nature graphene, thus hindering translocation DNA. To overcome this problem, exploration alternative 2D materials gained considerable interest over last decade. Here we show Ti 2 C-based MXene functionalized by hydroxyl groups (?OH) exhibits transverse conductance properties allow for distinction between all four naturally occurring bases. We used combination density functional theory and non-equilibrium Green’s function method sample multiple orientations nucleotides nanopore, generated from molecular dynamics simulations. The variation resulting sweeping an applied gate voltage demonstrates possesses high potential rapidly reliably sequence Our findings open door further theoretical experimental explorations nanopores promising material nanopore-based sensing.