A novel bionanosensor for dopamine detectionbased on titaniumdopedsingle walledboron nitride nanotube: Density functional theory

The development of new generation of nanobiosensors and other nanomedicine devices are urgently needed. In this study, we used computer simulations to study the interaction of titanium doped boron nitride nanotubes with dopamine under vacuum and solvent conditions. Our results revealed that the interaction between dopamine and boron nitride nanotube can be tuned via Ti-atom doping, which in turn facilitates the development of new generation of nanomedicine devices. Despite the medium conditions, it was found that the Ti-doped configurations are more stable and more conductive compared to the un-doped configurations. The stability of the investigated configurations under solvent conditions provides an opportunity to investigate real cases in human body. Moreover, it was found that the energy gap of the investigated structures is crucially dependent on the dopamine orientation with respect to the doped nanotube. Our results are thus expected to be very useful for the development of the next generation of nanobiosensors.