Water-splitting electrocatalytic properties and computational characterization of a symmetrically substituted porphyrazine Scientific paper

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Published: Oct 3, 2025
Updated: 03.10.2025
DOI: https://doi.org/10.2298/JSC250323043T
Keywords:
electrocatalyst hydrogen evolution reaction oxygen evolution reaction quantum chemical calculations correlation analysis

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Marina Alexandra Tudoran
National Institute of Research and Development for Electrochemistry and Condensed Matter, Dr. A. Paunescu Podeanu Street No. 144, 300569 Timisoara, Romania
https://orcid.org/0009-0008-3502-4690
Bogdan-Ovidiu Taranu
National Institute of Research and Development for Electrochemistry and Condensed Matter, 144 Dr. Aurel Paunescu-Podeanu, RO-300569 Timisoara, Romania
https://orcid.org/0000-0003-1515-8065

Abstract

The porphyrazine 2,7,12,17-tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine was studied regarding its electrocatalytic water-splitting act­ivity in a wide pH range. Two different methods were employed to manufacture electrodes based on this compound: a solution-based method and a catalyst ink-based one. The most catalytically active electrode was obtained using the cat­alyst ink-based method. In 1 mol L-1 KOH solution it displays an H2 evolution reaction overpotential of 0.6 V and a Tafel slope of 0.15 V dec-1. Statistical analysis revealed a significant correlation between the pH and the O2 evolution reaction overpotential. Quantum chemical calculations were performed to obtain a more detailed understanding of the porphyrazine’s properties.

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M. A. Tudoran and B.-O. Taranu, “Water-splitting electrocatalytic properties and computational characterization of a symmetrically substituted porphyrazine: Scientific paper”, J. Serb. Chem. Soc., vol. 90, no. 9, pp. 1089–1104, Oct. 2025.
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Vol. 90 No. 9 (2025)
Section
Electrochemistry
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