{rfName}

Indexed in

Documents and Files

Minotaki_JPCC_understanding-the-deactivation-of-fe-single-atom.pdf 9391.6 Mb
Minotaki_JPCC_understanding-the-deactivation-of-fe-single-atom.pdf 9391.6 Mb

Citations

1

Altmetrics

Analysis of institutional authors

Minotaki, Maria GAuthorLopez, NuriaCorresponding Author

Share

August 26, 2025
Publications
>
Article
No

Understanding the Deactivation of an Fe Single-Atom on Nitrogen-Doped Carbon Catalysts in Oxygen Reduction Reaction

Publicated to: Journal Of Physical Chemistry c. 129 (33): 14729-14738 - 2025-08-11 129(33), DOI: 10.1021/acs.jpcc.5c01611

Authors: Minotaki, Maria G; Lopez, Nuria

Affiliations

Barcelona Inst Sci & Technol BIST, Inst Chem Res Catalonia ICIQ, CERCA, Tarragona 43007, Spain - Author
Univ Rovira & Virgili, Tarragona 43007, Spain - Author

Abstract

Single-atom catalysts (SACs) have gained attention as potential replacements for the platinum-group metals (PGMs) in the oxygen reduction reaction (ORR), a fundamental reaction in renewable energy technologies. Among SACs, the Fe single-atom nitrogen-doped carbon catalysts (Fe-N x C y ) are prominent due to their remarkable activity. However, their long-term stability under operando conditions remains a critical challenge. Here, we show that a carbon atom coordinated to the Fe center can activate and interact with reactive oxygen species, leading to the formation of a stabilized C-O bond. Demetallization is promoted by electronic and structural changes in the catalyst, driven by its spin-polarization state. These findings provide mechanistic insights into the deactivation of Fe-N x C y moieties and guide the design of robust and sustainable catalysts for energy applications.

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Journal Of Physical Chemistry c due to its progression and the good impact it has achieved in recent years, according to the agency Scopus (SJR), it has become a reference in its field. In the year of publication of the work, 2025, it was in position , thus managing to position itself as a Q1 (Primer Cuartil), in the category .

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-12-06:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 2 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

    It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

    Leadership analysis of institutional authors

    There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Minotaki, Maria) and Last Author (López Alonso, Núria).

    the author responsible for correspondence tasks has been López Alonso, Núria.

    Awards linked to the item

    This work was funded by the Ministry of Science and Innovation (ref. No. PID2021-122516OB-I00). This publication was created as part of NCCR Catalysis (grant number 180544), a National Centre of Competence in Research funded by the Swiss National Science Foundation. We thank the Barcelona Supercomputing Center (BSC-RES) for providing generous computational resources.