Fig. 3: Simulation results for water solubility mechanism of LAAM GSH-CQDs.

a An enlarged view of the optimized LAAM GSH-CQD structure. b The overall view of the optimized LAAM GSH-CQD structure. c An one unit structure of the formation of the hexagonal ring on the surface of LAAM GSH-CQDs. d The whole structure of the formation of the hexagonal ring on the surface of LAAM GSH-CQDs. e An one unit structure of the formation of water hydration layer on the surface of LAAM GSH-CQDs. f The whole structure of the formation of water hydration layer on the surface of LAAM GSH-CQDs.