Iron cluster encapsulated N-doped single-walled carbon nanotubes as ORR electrocatalysts: a first-principles study
The ORR electrocatalytic activities of N-doped single-walled nanotubes infused with Fe<sub>7</sub> clusters are assessed with DFT calculations. The incorporation of Fe<sub>7</sub> leads to enhanced activity and stability <i>via</i> electron donation. The models presented in this work propose a promising strategy for designing non-precious metal ORR catalysts.
Authors
- Juchen Guo (ORCID: https://orcid.org/0000-0001-9829-1202)
- Bryan M. Wong (ORCID: https://orcid.org/0000-0002-3477-8043)
- Chengi Hung
- Yuqing Fu (ORCID: https://orcid.org/0009-0000-7120-0331)
Institutions
- University of California, Riverside (US)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-11-14
- DOI
- https://doi.org/10.1039/d5cc04557f
- Citations
- 1
- Primary Topic
- Electrocatalysts for Energy Conversion
- Type
- article
- Field-Weighted Citation Impact
- 0.36