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Probing and Mapping Electrode Surfaces in Solid Oxide Fuel Cells

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Heterostructure Interface Engineering in CoP/FeP/CeO with a Tailored d-Band Center for Promising Overall Water

Xue-Zhi Song¹, Tao Zhang¹, Yu-Hang Zhao¹

¹State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China.

Inorganic Chemistry

|May 18, 2023

Summary

This summary is machine-generated.

Developing efficient electrocatalysts for water splitting is key to a green hydrogen economy. This study engineered novel CoFeCe-based metal phosphides, achieving top-tier performance for both oxygen and hydrogen evolution reactions.

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Last Updated: Jul 30, 2025

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

Materials Science
Electrochemistry
Catalysis

Background:

A green hydrogen economy necessitates efficient electrocatalysts for water splitting.
Modulating catalyst electronic structures via interface engineering is crucial but challenging.

Purpose of the Study:

To develop earth-abundant, efficient electrocatalysts for simultaneous oxygen evolution reaction (OER) and hydrogen evolution reaction (HER).
To explore interface engineering strategies for optimizing electrocatalytic activity.

Main Methods:

Synthesized nanosheet-assembly tumbleweed-like CoFeCe precursors.
Fabricated multi-interface metal phosphide materials (CoP/FeP/CeO2) via phosphorization.
Optimized Co/Fe ratio and rare-earth Ce content for performance tuning.

Main Results:

The bifunctional catalyst Co3Fe/Ce0.025 exhibited superior OER and HER activity.
Achieved low overpotentials of 285 mV (OER) and 178 mV (HER) at 10 mA cm-2.
Demonstrated that heterostructure interfaces enhance active sites, charge transport, and electronic interactions.

Conclusions:

Interface engineering in rare-earth-containing multi-heterostructures offers a viable strategy for superior electrocatalyst design.
Optimized Co/Fe ratio and Ce content downshift the d-band center, boosting intrinsic activity.
This approach provides valuable insights for designing advanced electrocatalysts for water splitting.