Dynamic Reconfiguration and Induced Symmetry Switching in Iron Carbide Surface by Adsorbed Hydrogen
Adsorbate-induced surface reconstruction and symmetry switching critically impact reaction dynamics and surface reactivity. We show that hydrogen adsorption on the Fe2C(100) surface drives a reversible transformation from p4g(2 × 2) to c(2 × 2), triggered by the conversion of carbon from sp2 to sp3 hybridization and consequent reduction in electron delocalization. Annealing to 298 K restores the p4g(2 × 2) structure as hydrogen desorbs, underscoring adsorbate-controlled reversibility. Systematic analysis elucidates the underlying mechanism governing this dynamic surface modification.
Authors
- Xin Yu (ORCID: https://orcid.org/0000-0002-8390-4034)
- Xiue Li
- Xiaodong Wen (ORCID: https://orcid.org/0000-0001-5626-8581)
- Richárd Gubó (ORCID: https://orcid.org/0000-0001-6612-7264)
- Yong Yang (ORCID: https://orcid.org/0000-0002-9220-6166)
- Pengju Ren (ORCID: https://orcid.org/0000-0003-3752-1638)
- C. J. Weststrate (ORCID: https://orcid.org/0000-0003-4346-166X)
- J. W. Niemantsverdriet (ORCID: https://orcid.org/0000-0002-0743-0850)
- He Wang (ORCID: https://orcid.org/0000-0001-9389-9761)
- Jian Xu (ORCID: https://orcid.org/0000-0002-0141-6118)
- Daniel García Rodríguez (ORCID: https://orcid.org/0000-0003-2359-6700)
- Yong-Wang Li
Institutions
- Chinese Academy of Sciences (CN)
- National Energy Research Center (JO)
- Syngaschem (Netherlands) (NL)
- Dutch Institute for Fundamental Energy Research (NL)
- Institute of Coal Chemistry (CN)
- Syngenta (China) (CN)
Publication Details
- Journal
- ACS Materials Letters
- Published
- 2025-06-09
- DOI
- https://doi.org/10.1021/acsmaterialslett.5c00573
- Citations
- 1
- Primary Topic
- Hydrogen Storage and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.52
Funders
- National Natural Science Foundation of China
- Chinese Academy of Sciences
- National Key Research and Development Program of China
- National Science Fund for Distinguished Young Scholars