Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates
Abstract Finding a platinum‐free cathode catalyst that effectively models the oxygen reduction reaction (ORR) of a proton‐exchange membrane (PEM) fuel cell cathode better than the current commercial Pt/C catalyst has been a major shortcoming in fuel cell technology. Overall, a promising platinum‐fre...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Wiley-VCH
2023-03-01
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| Series: | Advanced Materials Interfaces |
| Subjects: | |
| Online Access: | https://doi.org/10.1002/admi.202202132 |
| _version_ | 1797772377019383808 |
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| author | Naomi Helsel Pabitra Choudhury |
| author_facet | Naomi Helsel Pabitra Choudhury |
| author_sort | Naomi Helsel |
| collection | DOAJ |
| description | Abstract Finding a platinum‐free cathode catalyst that effectively models the oxygen reduction reaction (ORR) of a proton‐exchange membrane (PEM) fuel cell cathode better than the current commercial Pt/C catalyst has been a major shortcoming in fuel cell technology. Overall, a promising platinum‐free cathode catalyst must offer great ORR activity, ORR selectivity, and acid stability. Due to their enticing ORR activity and selectivity to the preferred four‐electron ORR pathway, the possible dissolution reactions and oxygen‐intermediate reactions of iron phthalocyanine monolayer supported on a pristine graphene (GFePc) and boron‐doped graphene substrate (BGFePc) have been studied to determine the stability as a function of potential and pH through spin‐polarized density functional theory (DFT) calculations at both infinitesimally low (10−9 m) and 1 m Fe2+/Fe3+ ionic concentrations. BGFePc offers higher stability in both concentrations than GFePc. In both cases, the oxygen‐intermediates are more stable than the bare catalytic surface due to the metal d‐band center shifting further away from the Fermi level in the valence band state (higher energy of antibonding). Moreover, at an Fe2+ ionic concentration, both catalysts would be stable in the potential and pH regions at the operating conditions of rotating disk electrode (RDE) experiments and PEM fuel cells. |
| first_indexed | 2024-03-12T21:50:59Z |
| format | Article |
| id | doaj.art-374ffc19f1d74162b1b8947c4950de73 |
| institution | Directory Open Access Journal |
| issn | 2196-7350 |
| language | English |
| last_indexed | 2024-03-12T21:50:59Z |
| publishDate | 2023-03-01 |
| publisher | Wiley-VCH |
| record_format | Article |
| series | Advanced Materials Interfaces |
| spelling | doaj.art-374ffc19f1d74162b1b8947c4950de732023-07-26T01:40:41ZengWiley-VCHAdvanced Materials Interfaces2196-73502023-03-01109n/an/a10.1002/admi.202202132Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction IntermediatesNaomi Helsel0Pabitra Choudhury1Chemical Engineering Department New Mexico Tech Socorro NM 87801 USAChemical Engineering Department New Mexico Tech Socorro NM 87801 USAAbstract Finding a platinum‐free cathode catalyst that effectively models the oxygen reduction reaction (ORR) of a proton‐exchange membrane (PEM) fuel cell cathode better than the current commercial Pt/C catalyst has been a major shortcoming in fuel cell technology. Overall, a promising platinum‐free cathode catalyst must offer great ORR activity, ORR selectivity, and acid stability. Due to their enticing ORR activity and selectivity to the preferred four‐electron ORR pathway, the possible dissolution reactions and oxygen‐intermediate reactions of iron phthalocyanine monolayer supported on a pristine graphene (GFePc) and boron‐doped graphene substrate (BGFePc) have been studied to determine the stability as a function of potential and pH through spin‐polarized density functional theory (DFT) calculations at both infinitesimally low (10−9 m) and 1 m Fe2+/Fe3+ ionic concentrations. BGFePc offers higher stability in both concentrations than GFePc. In both cases, the oxygen‐intermediates are more stable than the bare catalytic surface due to the metal d‐band center shifting further away from the Fermi level in the valence band state (higher energy of antibonding). Moreover, at an Fe2+ ionic concentration, both catalysts would be stable in the potential and pH regions at the operating conditions of rotating disk electrode (RDE) experiments and PEM fuel cells.https://doi.org/10.1002/admi.202202132dissolutionoxygen reduction reactionplatinum‐free catalyst |
| spellingShingle | Naomi Helsel Pabitra Choudhury Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates Advanced Materials Interfaces dissolution oxygen reduction reaction platinum‐free catalyst |
| title | Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates |
| title_full | Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates |
| title_fullStr | Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates |
| title_full_unstemmed | Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates |
| title_short | Enhancing the Stability of a Pt‐Free ORR Catalyst via Reaction Intermediates |
| title_sort | enhancing the stability of a pt free orr catalyst via reaction intermediates |
| topic | dissolution oxygen reduction reaction platinum‐free catalyst |
| url | https://doi.org/10.1002/admi.202202132 |
| work_keys_str_mv | AT naomihelsel enhancingthestabilityofaptfreeorrcatalystviareactionintermediates AT pabitrachoudhury enhancingthestabilityofaptfreeorrcatalystviareactionintermediates |