Fig. 5: Interfacial interaction between R6G molecules and GDY.

Projected density of states of R6G molecules adsorbing on (a) GDY and (b) graphene. Charge density difference of R6G adsorbing on (c) GDY and (d) graphene, where the yellow and cyan colour mark the regions of charge accumulation and depletion, respectively. The isosurface was set to 0.001 e Å−3.