Electrocatalytic Nanocrystals with High-Index Facets

Electrocatalytic nanocrystals exhibiting high-index facets represent a frontier in catalyst design, distinguished by their stepped, kinked and highly defected surface structures. These facets, defined by high Miller indices, expose a greater density of low-coordination atomic sites that serve as active centres for electrochemical transformations. By tailoring shape, composition and surface chemistry, researchers have achieved substantial gains in activity, selectivity and stability for reactions such as hydrogen evolution, oxygen reduction and small-molecule oxidation. Synthetic strategies now encompass solid-state alloying–dealloying pathways, one-pot hydrothermal growth and electrochemical shape control, often combined with in situ characterisation and computational modelling to elucidate formation mechanisms. Such advances underpin practical applications in fuel cells, electrolyzers and sustainable chemical production, offering routes to reduce precious-metal loadings while enhancing turnover frequencies. Global efforts continue to integrate facet engineering with support effects, strain modulation and heteroatom decoration to hone performance under realistic operating conditions.

Research from Nature Portfolio

Recent studies have captured the dynamic evolution of Pt-based nanocrystals through an alloying–dealloying mechanism that yields high-index tetrahexahedral particles. In situ gas-cell transmission electron microscopy, combined with atom probe tomography and density functional theory, has revealed how volatile foreign atoms stabilise stepped facets, governing coarsening and facet regulation in real time. This mechanistic understanding enables high-yield, ligand-free synthesis across diverse metal systems. Complementary work on bimetallic Pt/Au clusters has introduced a crown-jewel architecture in which individual Au atoms occupy top-site positions on Pt cores, dramatically enhancing aerobic oxidation rates for small organics. The precise atomic arrangement provides a model for maximising site-specific activity and underlines the importance of controlled surface decoration for electrocatalytic applications.

Electrocatalytic Nanocrystals with High-Index Facets publication trend

The graph below shows the total number of articles in electrocatalytic nanocrystals with high-index facets across all publications each year (not limited to Nature Index journals).

Technical terms

Electrocatalysis: The acceleration of electrochemical reactions at the interface between an electrode and an electrolyte, facilitated by a catalyst.

High-index facet: A crystal surface plane described by high Miller indices, characterised by increased densities of steps, kinks and other low-coordination sites.

Alloying–dealloying: A transformation process in which foreign atoms are incorporated into a host metal and then selectively removed, reshaping nanocrystals and exposing high-index facets.

Crown-jewel nanocluster: A bimetallic nanoparticle structure in which single atoms of one metal occupy discrete surface positions (the “jewels”) on a second metal core (the “crown”), maximising site-specific catalytic activity.

References

1. Rational Design and Synthesis of Low-Temperature Fuel Cell Electrocatalysts. Electrochemical Energy Reviews (2018).
2. Preparation and Catalytic Activity for Aerobic Glucose Oxidation of Crown Jewel Structured Pt/Au Bimetallic Nanoclusters. Scientific Reports (2016).
3. One-Pot Synthesis of Pt High Index Facets Catalysts for Electrocatalytic Oxidation of Ethanol. Nanomaterials (2022).