Related Experiment Video
Updated: Aug 5, 2026
09:18
Simple Methods for the Preparation of Non-noble Metal Bulk-electrodes for Electrocatalytic Applications
Published on: June 21, 2017
Coverage-Dependent Lateral Interactions Shape the Electrocatalytic Activity of High-Entropy Alloys
Pengfei Hou1, Jin-Cheng Liu1,2
1Center for Rare Earth and Inorganic Functional Materials, School of Materials Science and Engineering & National Institute for Advanced Materials, Nankai University, Tianjin300350, China.
Journal of the American Chemical Society
|July 30, 2026
Summary
High-entropy alloys (HEAs) show promise for oxygen reduction reaction (ORR) electrocatalysis. This study reveals how lateral interactions on crowded surfaces impact HEA activity, guiding catalyst design.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- High-entropy alloys (HEAs) offer diverse surface sites for electrocatalysis.
- Theoretical studies often overlook coverage-dependent lateral interactions at reactive interfaces.
Purpose of the Study:
- To develop a machine learning framework for modeling the oxygen reduction reaction (ORR) in HEAs.
- To investigate the role of lateral interactions in HEA electrocatalytic activity.
Main Methods:
- Machine learning interatomic potential (MLIP)-enabled framework.
- Modeling of ORR within an Ag-Ir-Ru-Pd-Pt-Cu-Rh-Re alloy composition space.
- Tracking binding strengths of O* and OH* intermediates during coadsorption.
Main Results:
- Lateral interactions (hydrogen-bonding, electrostatic repulsion) significantly influence electrocatalytic activity.
- Coverage effects improve agreement with experimental composition-activity trends.
- Increased compositional complexity amplifies lateral repulsion, reducing optimal active sites.
Conclusions:
- Coverage-dependent lateral interactions are crucial for accurate HEA electrocatalyst modeling.
- A competition exists between local electronic optimization and lateral interactions.
- This provides guidance for designing HEA-based ORR electrocatalysts with volcano-shaped activity-entropy relationships.
Related Concept Videos
01:22Heterogeneous Catalysis
Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
01:30Processes at Electrodes
The electrode interacts with ions in the electrolyte solution at its interface. The rate of oxidation and reduction depends on the speed at which electrons can transfer through this interface. As ions attach to or leave the electrode surface, the electrode acquires a charge, and an electrical potential forms across the interface, making the process more difficult to reach equilibrium. The charge on the electrode affects the local ion concentrations in the solution, though thermal motion...
01:19Complexation Equilibria: The Chelate Effect
In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
01:27The Debye–Hückel Theory of Electrolyte Solutions
The Debye–Hückel theory, established by Peter Debye and Erich Hückel in 1923, is a fundamental concept in physical chemistry. It provides an understanding of the behavior of strong electrolytes in solution, particularly explaining their deviations from ideal behavior.The theory is based on Coulombic interactions (the attraction or repulsion between charged particles) between ions in solution. In an ionic solution, oppositely charged ions tend to attract each other. This means that cations...
01:08Electrodeposition
Electrodeposition is a technique used to separate an analyte from interferents by electrochemical processes. Here, the analyte is a metal ion that can be deposited on an electrode immersed in the sample solution. The electrochemical setup consists of an anode and a cathode. When an electric current is applied to the setup, oxidation occurs at the anode. At the cathode, which consists of a large metal surface, metal ions undergo reduction and deposit onto the surface.
Electrodeposition can...
Electrodeposition can...
01:30Ladder Diagrams: Redox Equilibria
Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...