Progress of oxygen and hydrogen evolution
reactions in parallel with chlorine evolution on
manganese single-atom catalysts based on perfect
and defective porphyrin, corrole, and
phthalocyanine
Nasimeh Lari Dashti, Afshan Mohajeri
*
Department of Chemistry, College of Sciences, Shiraz University, Shiraz 7194684795, Iran
highlights graphical abstract
Catalytic behaviors of four coordi-
nated N4 templates for O
2
,H
2
, and
Cl
2
evolutions are investigated.
Porphyrin, corrole, and phthalocy-
anine incorporating Mn single
atom are examined.
The impact of defect around Mn
eN4 active site on the catalytic
activity is focused.
The O
2
evolution is slightly hin-
dered by OCl formation on the
same OER active sites.
The water oxidation can be
enhanced with small increases in
pH value.
article info
Article history:
Received 1 July 2022
Received in revised form
6 October 2022
Accepted 12 October 2022
Available online xxx
Keywords:
Single atom catalyst
Water splitting
abstract
During the seawater electrolysis, besides the hydrogen evolution reaction (HER) at the
cathode, there is always debate on the simultaneous occurrence of chlorine evolution re-
action (CER) and oxygen evolution reaction (OER) at the anode. In this context, the selec-
tivity toward anodic reactions is a challenge and could be adjusted through the variation of
the electronic structure of the electrocatalyst. The present study aims to investigate the
electrocatalytic behavior of four coordinated square-planar N4 templates toward parallel
evolution of oxygen and chlorine at the anode as well as hydrogen evolution at the cath-
ode. To this end, our focus will be on porphyrin, corrole, and phthalocyanine substrates
incorporating Mn single atom highlighting the impact of perturbations around the MneN4
active site on the catalytic activity of these substrates. Accordingly, the reactivity and
selectivity of 21 perfect and defective substrates toward the OER, CER, and HER have been
* Corresponding author.
E-mail address: amohajeri@shirazu.ac.ir (A. Mohajeri).
Available online at www.sciencedirect.com
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journal homepage: www.elsevier.com/locate/he
international journal of hydrogen energy xxx (xxxx) xxx
https://doi.org/10.1016/j.ijhydene.2022.10.111
0360-3199/© 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
Please cite this article as: Dashti NL, Mohajeri A, Progress of oxygen and hydrogen evolution reactions in parallel with chlorine evolution
on manganese single-atom catalysts based on perfect and defective porphyrin, corrole, and phthalocyanine, International Journal of
Hydrogen Energy, https://doi.org/10.1016/j.ijhydene.2022.10.111