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The surface electrostatic potential of the optimized geometry of PET (n = 3) (a) and the most stable structure of PP (n = 3) with –COOH group (b) obtained at the B3LYP/def2-TZVP level; The optimized complexes between the most stable structure of PP (n = 3) with –COOH group and different cations including Pb2+ (c), Cd2+ (d), and Sr2+ (e).
