Tuning the O-O bond formation pathways of molecular water oxidation catalysts on electrode surfaces via second coordination sphere engineering

doi:10.1016/S1872-2067(20)63671-3

Abstract

Abstract:

A molecular [Ru(bda)]-type (bda = 2,2’-bipyridine-6,6’-dicarboxylate) water oxidation catalyst with 4-vinylpyridine as the axial ligand (Complex 1) was immobilized or co-immobilized with 1-(trifluoromethyl)-4-vinylbenzene (3F) or styrene (St) blocking units on the surface of glassy carbon (GC) electrodes by electrochemical polymerization,in order to prepare the corresponding poly-1@GC,poly-1+P3F@GC,and poly-1+PSt@GC functional electrodes. Kinetic measurements of the electrode surface reaction revealed that [Ru(bda)] triggers the O-O bond formation via (1) the radical coupling interaction between the two metallo-oxyl radicals (I2M) in the homo-coupling polymer (poly-1),and (2) the water nucleophilic attack (WNA) pathway in poly-1+P3F and poly-1+PSt copolymers. The comparison of the three electrodes revealed that the second coordination sphere of the water oxidation catalysts plays vital roles in stabilizing their reaction intermediates,tuning the O-O bond formation pathways and improving the water oxidation reaction kinetics without changing the first coordination structures.

Key words: Water oxidation catalyst, Second coordination sphere, Dipole moment, O-O bond formation, Reaction kinetics

Qiming Zhuo, Shaoqi Zhan, Lele Duan, Chang Liu, Xiujuan Wu, Mårten S. G. Ahlquist, Fusheng Li, Licheng Sun. Tuning the O-O bond formation pathways of molecular water oxidation catalysts on electrode surfaces via second coordination sphere engineering[J]. Chinese Journal of Catalysis, 2021, 42(3): 460-469.

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URL: https://www.cjcatal.com/EN/10.1016/S1872-2067(20)63671-3

https://www.cjcatal.com/EN/Y2021/V42/I3/460

Figures/Tables 6

Scheme 1 Overview of oxo-oxo coupling (I2M) and water nucleophilic attack (WNA) mechanisms for O-O bond formation by WOCs.

Scheme 2 Schematic diagrams of electrodes prepared via electrochemical polymerization.

Fig. 1. Pourbaix diagrams of poly-1@GC (a),poly-1+PSt@GC (b),and poly-1+P3F@GC (c) electrodes; (d) simulated Pourbaix diagrams of the three electrodes.

Fig.2. (a) LSV curves of poly-1@GC at various catalyst coverages (Γ). The inset plot shows the logarithm of the current density at selected potentials against the logarithm of the corresponding peak current of the RuIII/II couple; the slopes of the linear fitting curves reflect the reaction orders in catalyst coverage (ρΓ). (b) LSV curves of poly-1@GC in D2O and H2O (electrolyte: Na2SO4 anhydrous,50 mM). The inset plot shows the KIE values as a function of the potential. (c) LSV curves of poly-1@GC at various phosphate buffer concentrations ([Pi]). The inset plot shows the logarithm of the current density at selected potentials against the logarithm of the phosphate concentration; the slopes of the linear fitting curves reflect the reaction orders in [Pi]. (d) TOF values of poly-1@GC with a catalyst coverage of 5.1 × 10-11 mol cm-2,measured by the chronoamperometric method.

Fig.3. (a) LSV curves of poly-1+PSt@GC at various catalyst coverages Γ. The inset plot shows the logarithm of the current density at selected potentials as a function of the logarithm of the corresponding peak current of the RuIII/II couple; the slopes of the linear fitting curves reflect the reaction orders in catalyst coverage (ρΓ). (b) LSV curves of poly-1+PSt@GC in D2O and H2O (electrolyte: Na2SO4 anhydrous,50 mM). The plot inset shows the KIE values as a function of the potential. (c) LSV curves of poly-1+PSt@GC at various phosphate buffer concentrations. The inset plot shows the logarithm of the current density at selected potentials as a function of the logarithm of the phosphate concentration; the slopes of the linear fitting curves reflect the reaction orders in [Pi]. (d) TOF values of poly-1+PSt@GC with a catalyst coverage of 7.2 × 10-11 mol cm-2,measured by the chronoamp erometric method.

Fig.4. (a) LSV curves of poly-1+P3F@GC at various catalyst coverages Γ. The inset plot shows the logarithm of the current density at selected potentials against the logarithm of the corresponding peak current of the RuIII/II couple; the slopes of the linear fitting curves reflect the reaction orders in catalyst coverage (ρΓ). (b) LSV curves of poly-1+P3F@GC in D2O and H2O (electrolyte: anhydrous Na2SO4,50 mM). The inset shows the KIE values as a function of the potential. (c) LSV curves of poly-1+P3F@GC at various phosphate buffer concentrations. The inset plot shows the logarithm of the current density at selected potentials as a function of the logarithm of the phosphate concentration; the slopes of the linear fitting curves reflect the reaction orders in [Pi]. (d) TOFs of poly-1+P3F@GC with a catalyst coverage of 5.6 × 10-11 mol cm-2,measured by the chronoamperometric method.

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