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Volume 113
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Maximizing the exposure of (311) facets of L12-Pt3Fe nanocatalysts via tuning supports for optimal hydrogen evolution
Long Chen, Qing Liang *, Zhou Jiang, Xu Zou, Tiantian Xu, Wenwen Li, Fuxi Liu, Ye Liang, Donghang Hu, Wei Zhang *
Key Laboratory of Automobile Materials Ministry of Education, School of Materials Science & Engineering, Electron Microscopy Center, International Center of Future Science, Changbaishan Laboratory, Jilin University, Changchun, 130012, China
10.1016/j.partic.2026.03.033
Volume 113, June 2026, Pages 324-331
Received 27 January 2026, Revised 24 March 2026, Accepted 26 March 2026, Available online 3 April 2026, Version of Record 9 April 2026.
E-mail: qingliang@jlu.edu.cn; weizhang@jlu.edu.cn
Highlights

• Pt3Fe/AC exhibits unprecedented (311) facet exposure in sub-2 nm NPs.

• Pt3Fe/AC shows a 22 mV overpotential at 10 mA cm−2, a 28.8 mV dec−1 Tafel slope.

• Sub-2 nm Pt3Fe NPs were exposed with 13.4% (311) facets.

• Pt3Fe/AC optimized the hydrogen adsorption free energy (ΔGH∗ = −0.23 eV) in HER.


Abstract

In the hydrogen evolution reaction (HER), tuning the d-band center of platinum through the incorporation of iron represents a promising strategy. We utilize three carbon supports to anchor L12-ordered Pt3Fe nanoparticles (NPs) for alkaline HER. As the choice of support renders changes in the size of Pt3Fe NPs, larger proportion of high-index (311) facets are exposed. Result reveals that ∼2 nm Pt3Fe/AC NPs were exposed with 13.4% high-index (311) facets. Density functional theory (DFT) calculation demonstrates that the exposed (311) facets play a critical role in enhancing catalytic performance. The optimized Pt3Fe/AC catalyst achieves an ultralow overpotential of 22 mV. Ascribed to the synergistic effect of support-induced ultra-small NP size and the presence of high-index facets (311) in L12-Pt3Fe NPs, it maximizes active sites exposure and thereby optimizes hydrogen adsorption kinetics. Our study provides new insights into the rational design of support-mediated nanocatalysts with desired facets for efficient energy conversion.

Graphical abstract
Keywords
Hydrogen evolution reaction; High-index facets; Structure-activity relationship; Pt-Fe intermetallic compounds
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