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Oxygen Defects Containing TiN Films for the Hydrogen Evolution Reaction: A Robust Thin-Film Electrocatalyst with

Ayoub Laghrissi¹, Mohammed Es-Souni²

¹Currently at Mads Clausen Institute, University of Southern Denmark, 6400 Sønderborg, Denmark.

Nanomaterials (Basel, Switzerland)

|May 10, 2024

Summary

Titanium nitride (TiN) shows promise as an electrode for the hydrogen evolution reaction (HER) due to oxygen defects enhancing hydrogen adsorption. This study investigates TiN

Keywords:

DFT TiNO hydrogen evolution reaction linear sweep voltammertry oxygen defects titanium nitride

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Area of Science:

Materials Science
Electrochemistry
Surface Science

Background:

Titanium nitride (TiN) is a conductive material with potential for electrocatalysis.
Previous DFT studies suggested TiN's suitability for the hydrogen evolution reaction (HER).
Oxygen defects in TiN layers may influence HER performance.

Purpose of the Study:

To experimentally and theoretically investigate the electrocatalytic properties of TiN layers for HER.
To understand the role of oxygen defects in TiN on HER performance.
To evaluate the impact of palladium nanoparticle (Pd-NP) decoration on TiN for HER.

Main Methods:

Density Functional Theory (DFT) calculations.
Reactive ion sputtering for TiN layer deposition.
Electrochemical measurements of HER performance.
Surface analysis of TiN and Pd-NP/TiN.

Main Results:

Oxygen defects in TiN create favorable Ti sites for hydrogen adsorption (approx. -0.1 eV).
TiN layers with oxygen defects exhibit HER performance comparable to platinum nanoparticles (Pt-NPs).
Sputtering Pd-NPs onto TiN significantly reduces HER performance by scavenging oxygen defects.

Conclusions:

Oxygen-deficient TiN is a promising electrocatalyst for HER.
The presence of oxygen defects is crucial for the high HER activity of TiN.
Pd-NP decoration is detrimental to HER performance on TiN due to defect scavenging.