Fig. 5: Density functional theory calculation for the PMS activation mechanism. | Nature Communications

Fig. 5: Density functional theory calculation for the PMS activation mechanism.

From: Dynamic active-site induced by host-guest interactions boost the Fenton-like reaction for organic wastewater treatment

Fig. 5

a Calculated potential energy diagrams for PMS decomposition into two key reaction intermediates. b Adsorption configuration and charge density of PMS on STLC. Yellow and cyan denote electron accumulation and electron depletion, respectively. c in situ Raman spectra of ONP, PMS, STLC, and their reaction. d Projected density of states of STLC. e Co K-edge EXAFS analysis of STLC adsorbed ONP at R space.

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