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Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts

Abstract:
Single-atom catalysts with maximum metal utilization efficiency show great potential for sustainable catalytic applications and fundamental mechanistic studies. We here provide a convenient molecular tailoring strategy based on graphitic carbon nitride as support for the rational design of single-site and dual-site single-atom catalysts. Catalysts with single Fe sites exhibit impressive oxygen reduction reaction activity with a half-wave potential of 0.89 V vs. RHE. We find that the single Ni sites are favorable to promote the key structural reconstruction into bridging Ni-O-Fe bonds in dual-site NiFe SAC. Meanwhile, the newly formed Ni-O-Fe bonds create spin channels for electron transfer, resulting in a significant improvement of the oxygen evolution reaction activity with an overpotential of 270 mV at 10 mA cm−2. We further reveal that the water oxidation reaction follows a dual-site pathway through the deprotonation of *OH at both Ni and Fe sites, leading to the formation of bridging O2 atop the Ni-O-Fe sites.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1038/s41467-021-25811-0

Authors


More by this author
Role:
Author
ORCID:
0000-0003-2358-016X
More by this author
Role:
Author
ORCID:
0000-0001-9691-527X


Publisher:
Springer Nature
Journal:
Nature Communications More from this journal
Volume:
12
Article number:
5589
Publication date:
2021-09-22
Acceptance date:
2021-08-30
DOI:
EISSN:
2041-1723
Pmid:
34552084


Language:
English
Keywords:
Pubs id:
1196706
Local pid:
pubs:1196706
Deposit date:
2021-10-04

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