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
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)
Full text (open access)
The author-created version that incorporates referee comments and is the accepted for publication version Available from 12.06.2024
Full text (publisher's version - intranet only)
UAntwerpen
Research group
Project info
Computational exploration of new pathways in gas conversion on novel nanocatalysts.
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identifier
Creation 01.02.2024
Last edited 06.02.2024
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