Facet-Dependent Properties of Semiconductor Nanocrystals

Semiconductor nanocrystals exhibit a pronounced dependence of their physical and chemical properties on the crystallographic planes exposed at their surfaces, known as facets. Each facet presents a unique arrangement of atoms, coordination numbers and electronic states, which in turn govern surface energy, charge distribution and the adsorption of reactant molecules. By deliberately engineering the shape of nanocrystals to expose specific facets—such as cubes ({100}), octahedra ({111}) or rhombic dodecahedra ({110})—researchers can tailor optical absorption profiles, photoluminescence efficiency, charge‐carrier separation and catalytic activity. Facet engineering therefore offers a powerful route to optimise light harvesting in photovoltaics, to enhance selectivity in electrocatalytic and photocatalytic reactions, and to fine-tune interfacial charge transport in heterojunctions. Ligands and surface treatments can further stabilise particular facets, enabling precise control over growth kinetics, stability and surface reactivity. The ability to correlate macroscopic performance metrics—such as photocurrent density, redox turnover frequency or quantum yield—with atomic-scale surface structure underpins the development of next-generation nanomaterials for energy conversion, sensing and environmental remediation.

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Facet-Dependent Properties of Semiconductor Nanocrystals publication trend

The graph below shows the total number of articles in facet-dependent properties of semiconductor nanocrystals across all publications each year (not limited to Nature Index journals).

Technical terms

Facet: A specific crystallographic plane on the surface of a nanocrystal that determines atomic density and coordination.

Nanocrystal: A crystalline particle with dimensions in the nanometre range, whose properties are dominated by surface effects and quantum confinement.

Heterojunction: An interface between two different semiconductors or between a semiconductor and a metal, where alignment of energy bands influences charge separation and transport.

Photocatalysis: A process in which light absorption by a semiconductor triggers chemical reactions at its surface, often involving electron–hole pairs.

Electrocatalysis: An electrochemical process at a material's surface where catalytic activity facilitates redox reactions under applied potential.

References

1. Current Rectification and Photo-Responsive Current Achieved through Interfacial Facet Control of Cu2O–Si Wafer Heterojunctions. ACS Central Science (2021).
2. Specific Cu 2 O surfaces for electrocatalytic oxygen reduction reaction. Journal of Materials Chemistry A (2025).
3. Photocatalyzed Aerobic Oxidation of Thiols to Disulfides Using Cu2O Polyhedra. ACS Applied Materials & Interfaces (2025).