Local Structure Insight into Hydrogen Evolution Reaction with Bimetal Nanocatalysts
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Updated: Aug 23, 2025
Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Qiang Li1, He Zhu1, Xiaoyu Chen2
1Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Solid State Chemistry, University of Science and Technology Beijing, Beijing 100083, China.
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 Pt3Fe L12 phases can be attributed to the marked improvement of HER activity and stability in Pt56Fe44. 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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