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Rational Design of Metal Oxide Nanostructures via Dopant Control: A Case Study in Photoelectrochemical Performance.
Mariana A Dotta1,2, Fabio A Pires1,2, Karen C Bedin1
1Brazilian Nanotechnology National Laboratory (LNNano), Brazilian Center for Research in Energy and Materials (CNPEM), Campinas, São Paulo, CEP 13083-100, Brazil.
ACS Applied Materials & Interfaces
|November 13, 2025
Summary
This study introduces a polymeric precursor solution (PPS) method for precisely controlling dopant placement in metal oxide nanostructures. This approach enhances material properties for applications in energy and catalysis.
Area of Science:
- Materials Science
- Nanotechnology
- Solid-State Chemistry
Background:
- On-demand material design requires precise control over composition and structure.
- Tailoring functional properties of multifunctional systems is crucial for advanced applications.
Purpose of the Study:
- To develop a polymeric precursor solution (PPS) method for spatially controlled dopant incorporation into oxide nanostructures.
- To design and investigate CuO, CeO2, and α-Fe2O3 multifunctional systems using this method.
- To explore the impact of lattice and interfacial doping on nanostructure properties and performance.
Main Methods:
- Polymeric precursor solution (PPS) method for dopant incorporation.
- X-ray diffraction (XRD) for phase purity confirmation.
- Intensity-modulated photocurrent spectroscopy (IMPS) for conductivity analysis.
- Density functional theory (DFT) for energy barrier calculations.
Main Results:
- High-purity single-phase CuO, CeO2, and α-Fe2O3 nanostructures were synthesized.
- Lattice doping increased nanostructure thickness and porosity, enhancing intragrain conductivity.
- Interfacial doping reduced grain size and energy barriers, improving intergrain charge transport.
- DFT confirmed reduced interfacial energy barriers in doped hematite (α-Fe2O3).
Conclusions:
- The PPS method enables rational design of tunable metal oxides through spatial control of dopant distribution.
- Synergistic effects of lattice and interfacial doping optimize porosity, grain size, film thickness, and conductivity.
- This versatile platform is suitable for developing advanced materials for energy, catalysis, and other fields.
