Interaction between DNA-nucleotides and nanopores in h-BN/graphene devices: An ab initio study

Fundamental electronic properties of nanopore-based DNA sequencing device have been investigated applying density functional theory. A device consisting of a nanopore in a h-BN layer, which is sandwiched between two graphene electrodes has been proposed. Properties such as absorption energy, density of states and charge transfer between four DNA nucleotides and device have been calculated considering two different alignments of nucleotides in nanopore. The significance of rotation for these DNA nucleotides has been discussed through the results.