Interaction of water with nitrogen-doped graphene

We have studied the interaction of water and graphene doped with nitrogen in different configurations, namely, graphitic pyridinic nitrogen, by means van der Waals density functional. found that local configuration plays a key role determining stable configuration, while dispersion force is responsible for adsorption. With prefers to orient its oxygen toward surface, whereas it hydrogens because positively negatively charged former latter, respectively. Our results great implications modeling interface between nitrogen-doped systems.