Alternative reaction mechanisms of ammonia reduction of iron oxide examined using density functional theory modelling
Several conceivable mechanisms of NH 3 reduction of Fe 3 O 4 , represented by the Fe 3 O 4 (001)-B surface, have been hypothesised and examined using density functional theory (DFT) modelling.
Authors
- Xianchun Li (ORCID: https://orcid.org/0000-0001-8332-7356)
- Dongke Zhang (ORCID: https://orcid.org/0000-0003-0715-7986)
- Zhezi Zhang (ORCID: https://orcid.org/0000-0002-1429-8720)
- Chiemeka Onyeka Okoye (ORCID: https://orcid.org/0000-0002-9568-9028)
- Huanran Wang (ORCID: https://orcid.org/0000-0002-7579-7216)
Institutions
- University of Science and Technology Liaoning (CN)
- The University of Western Australia (AU)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj00840a
- Citations
- 2
- Primary Topic
- Iron and Steelmaking Processes
- Type
- article
- Field-Weighted Citation Impact
- 1.43