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Publication
Title
Enhancement of Mn-N-C single atom catalysts via sulfur and/or oxygen co-doping for oxygen reduction in acidic conditions : unveiling the catalyst durability in fuel cells
Author
Nematollahi, Parisa
Neyts, Erik C.
Abstract
Carbon-supported single Mn sites coordinated with nitrogen (Mn-N-C) catalysts are amongst the most favorable platinum group metal-free (PGM-free) catalysts for proton exchange membrane fuel cells (PEMFCs). However, the high overpotential of these catalysts, limits their application for oxygen reduction reaction (ORR). Experi-ments showed that O and S heteroatom co-doping increases the catalytic activity of Mn-N-C catalysts for elec-trochemical gas conversion. This prompted us to perform a systematic investigation of the formed co-doped configurations at the atomic scale and to study the corresponding reaction mechanisms for oxygen reduction in acidic environment. All probable configurations for Mn-NxOySz/C10 complexes are considered and the most stable and durable structures are selected as ORR active catalysts. Our results confirm the strong stabilization of the Mn sites over N4- and N3-doped carbonaceous support and consequently their stability against oxidation in contrast to other O and/or S co-doped heterostructures.
Language
English
Source (journal)
Molecular catalysis. - New York, N.Y., 2017, currens
Publication
New York, N.Y.
:
Elsevier
,
2024
ISSN
2468-8231 [online]
2468-8274 [print]
DOI
10.1016/J.MCAT.2023.113745
Volume/pages
553 (2024) , p. 1-8
Article Reference
113745
ISI
001140568800001
Full text (Publisher's DOI)
https://doi.org/10.1016/J.MCAT.2023.113745
Full text (open access)
https://repository.uantwerpen.be/docstore/d:irua:21868
Full text (publisher's version - intranet only)
https://repository.uantwerpen.be/docstore/d:iruaintra:11248
UAntwerpen
Research group
Modelling and Simulation in Chemistry (MOSAIC)
Project info
Computational exploration of new pathways in gas conversion on novel nanocatalysts.
Publication type
A1 Journal article
Subject
Chemistry
Affiliation
Publications with a UAntwerp address
External links
Web of Science
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Record
Identifier
c:irua:202722
Creation
01.02.2024
Last edited
21.12.2024
To cite this reference
https://hdl.handle.net/10067/2027220151162165141
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