Local Structure Insight into Hydrogen Evolution Reaction with Bimetal Nanocatalysts
Abstract
The revelation of the atomic 3D structure of sub-5 nm bimetal nanocatalysts challenges the limitations of conventional methods. Notably, the identification of the cooperative relationship between the active sites and nearby coordination environment during catalytic reactions depends on the stereo distribution of local phases and chemical composition within a short range. As a model nanocatalyst in our investigation, we studied the ordered PtFe bimetals in hydrogen evolution reactions (HER). By combining pair distribution functions with reverse Monte Carlo, local-range phase symmetry, chemical composition, and atom distribution were determined. The segregation of local phase segments as disordered Pt-rich A1 and Pt 3 Fe L1 2 phases can be attributed to the marked improvement of HER activity and stability in Pt 56 Fe 44 . Following the etching of the outermost-surface Fe, the remaining disordered segregation offered a large number of active Pt sites for discharge and electrochemical desorption reactions. It resulted in local-bonding Pt pairs that made it easier for adsorbed hydrogen atoms to recombine. The current research will provide structural insight into the local range for bimetal nanocatalysts and be valuable for the creation of new, low-cost nanocatalysts.
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The presence of four characteristic diffraction peaks marked with purple diamonds indicates the formation of an ordered L12 structure.
“In addition, the presence of four characteristic diffraction peaks marked with purple diamonds indicates the formation of an ordered L12 structure (Fig. 2 and S11a).29,30,40–44”
From Tuning the local environment of atomic Pt shells of Pt <sub>3</sub> Fe@Pt nanoparticles enables energy-saving hydrogen production (2026) · cites this paper as [42]
Cites
Recent advances in heterogeneous electrocatalysts for the hydrogen evolution reaction
Zeng, M., & Li, Y. (2015) · Journal of Materials Chemistry A · doi:10.1039/c5ta02974k · Cited by 1,294 · see citing works
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Surface Strain Effect on Electrocatalytic Hydrogen Evolution Reaction of Pt-Based Intermetallics
Zhong, Z., Tu, Y., Zhang, L., Ke, J., Zhong, C., Tan, W., Wang, L., Zhang, J., Song, H., Du, L., et al. (2024) · ACS Catalysis · doi:10.1021/acscatal.3c06291 · Cited by 66 · see citing works
Li, S., Xu, Q., Sun, B., Liu, X., Tian, H., Wang, X., & Xia, H. (2026) · Journal of Materials Chemistry A · doi:10.1039/d6ta01696k
- Authors
- Li, Q., Zhu, H., Chen, X., Liu, H., Ren, Y., Chen, Y., Ohara, K., Zhou, L., Chen, J., Deng, J., Miao, J., Lin, K., Kuang, X., & Xing, X.
- Affiliations
- University of Science and Technology Beijing (CN)
- Shenzhen University (CN)
- City University of Hong Kong (HK)
- Tianjin University (CN)
- Japan Synchrotron Radiation Research Institute (JP)
- East China University of Science and Technology (CN)
- Guilin University of Technology (CN)
- Corresponding author
- Xing, Xianran
- ORCID
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2022-10-27
- Volume
- 144
- Issue
- 44
- Pages
- 20298-20305
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W4307427606
- Cited by
- 39
- References
- 3
- Citations by year
- 2026: 8 · 2025: 9 · 2024: 12 · 2023: 10
- FWCI
- 1.40
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Journal of the American Chemical Society (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Ministry of Science and Technology of the People's Republic of China (2020YFA0406202)
- Bagui Scholars Program of Guangxi Zhuang Autonomous Region
- China Postdoctoral Science Foundation (2019M660446, BX20190031)
- National Natural Science Foundation of China (21731001, 22090042, 22175018)
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
- Physical Sciences › Materials Science › Materials Chemistry › Hydrogen Storage and Materials
- Physical Sciences › Materials Science › Materials Chemistry › Catalytic Processes in Materials Science
- Keywords
- hydrogen evolution reaction, local structure, pair distribution function, reverse Monte Carlo, surface etching, electrochemical desorption, hydrogen adsorption, active site, electrocatalyst stability
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