Fig. 4From: Study on adsorption and desorption of ammonia on grapheneGas on graphene. Supercell (3 × 3) of graphene adsorbed all kinds of molecules and three adsorption sites are considered (a). Configuration of the H2O (b), NH3 (c), NH4 (d), NH3•H2O (e), and NH3•2H2O (f) molecular on graphene sheets, all of the structures after optimizationBack to article page