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Updated: May 30, 2025

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

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Published on: June 9, 2023

Suppressing Cation Interdiffusion at CeO₂/ZrO₂ Heterointerfaces via Dopant Segregation.

Amjad Hussain¹, Yong Youn², Beom-Su Kwon¹

¹Hydrogen Fuel Cell Laboratory, Korea Institute of Energy Research (KIER), 152 Gajeong-ro, Yuseong-gu, Daejeon 34129, Korea.

ACS Applied Materials & Interfaces

|January 31, 2025

Summary

Dopant segregation effectively suppresses cation interdiffusion at heterointerfaces, enhancing solid oxide fuel cell performance by reducing resistance and improving durability. This method offers a new approach for material design.

Keywords:

heterointerface interdiffusion segregation solid electrolyte solid oxide fuel cells

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Area of Science:

Materials Science
Chemical Engineering
Solid State Chemistry

Background:

Cation interdiffusion at heterointerfaces is a detrimental side reaction in advanced materials.
Diffusion barrier layers are commonly employed to mitigate this issue.
Controlling interdiffusion is crucial for optimizing material performance and device longevity.

Purpose of the Study:

To propose and demonstrate a novel method for suppressing cation interdiffusion using dopant segregation.
To investigate the mechanism of interdiffusion suppression at the CeO2/ZrO2 heterointerface.
To evaluate the impact of the proposed method on solid oxide fuel cell performance.

Main Methods:

Fabrication of nanometer-thick diffusion barrier layers via dopant segregation.
Utilizing Sc acceptor dopant segregation at the CeO2/ZrO2 heterointerface.
Employing density functional theory (DFT) for defect formation energy calculations.

Main Results:

Sc acceptor dopant segregation effectively suppressed Ce-Zr interdiffusion at the CeO2/ZrO2 heterointerface.
DFT calculations revealed that the Sc layer impedes vacancy formation in the CeO2 layer, reducing VCe4- concentration.
Implementation of the Sc segregation layer resulted in lower ohmic and polarization resistance and enhanced long-term fuel cell durability.

Conclusions:

Dopant segregation is a viable and effective strategy for suppressing cation interdiffusion.
The Sc segregation layer significantly improves the performance and durability of composite oxide-based fuel cells.
Careful selection of dopants is critical for impeding interdiffusion and achieving superior fuel cell performance.