Interaction mechanism of biomolecules on vacancy defected 2D materials

In this work, we present a first principles study of the adsorption of Adenine which is a nucleobases, Histide and Leucine molecules, which are the amino acids, on vacancy defected single layer materials such as graphene and phosphorene. Among these materials, graphene, which is a single layer honeycomb structure of carbon. Also, phosphorene is recently synthesized by mechanical exfoliation of the black phosphorus. Phosphorene forming a puckered honeycomb structure similar to silicene. However, unlike zero-bandgap graphene and silicene, phosphorene is a direct band gap semiconductor, which makes it very attractive for the nanoelectronic devices. According to the studies, local defects can always exist at any temperature. The most probable defect type is the single vacancy in the single layer honeycomb structures. Vacancy defects can be emerged during growth process and they change the properties of materials significantly. In this study, we show that how to manipulate interaction and binding mechanisms of biomolecules with 2D materials with increased chemical activity by vacancy defects.