Pd-Doped WO₃ Nanostructures as Potential Glucose Sensor with Insight from Electronic Structure Simulations

Area of Science:

• Materials Science
• Electrochemistry
• Nanotechnology

Background:

• Nonenzymatic glucose sensing is crucial for diabetes management.
• Tungsten oxide (WO3) nanostructures are explored for electrochemical sensing applications.
• Controlling crystal structure and doping can significantly influence material properties.

Purpose of the Study:

• To investigate the crystal-structure-dependent nonenzymatic glucose-sensing properties of WO3 and Pd-doped WO3 nanostructures.
• To correlate experimental findings with theoretical insights from density functional theory (DFT) simulations.
• To identify optimal materials for real-time glucose sensor fabrication.

Main Methods:

• Hydrothermal synthesis of WO3 nanomaterials with varying crystal phases (orthorhombic, monoclinic, mixed).
• Palladium (Pd) doping of WO3 nanostructures.
• Electrocatalytic activity testing for glucose sensing.
• Density functional theory (DFT) simulations to study glucose binding and charge transfer mechanisms.

Main Results:

• Monoclinic Pd-doped WO3 nanobricks showed a 3-fold increase in oxidation peak current compared to orthorhombic WO3 microspheres.
• Pd-doped WO3 exhibited high glucose-sensing sensitivities: 11.4 μA μM⁻¹ cm⁻² (5-55 μM) and 5.6 μA μM⁻¹ cm⁻² (65-375 μM).
• DFT simulations indicated higher glucose binding energy and enhanced charge transfer in Pd-doped WO3, supporting experimental observations.

Conclusions:

• Pd-doped monoclinic WO3 demonstrates significantly enhanced nonenzymatic glucose-sensing performance.
• The study provides both experimental evidence and theoretical validation for Pd-doped WO3 as a promising material for glucose sensors.
• Optimized Pd-doped WO3 nanostructures hold potential for developing advanced real-time glucose monitoring devices.