PtTe Monolayer: Two-Dimensional Electrocatalyst with High Basal Plane Activity toward Oxygen Reduction Reaction

Area of Science:

• Materials Science
• Catalysis
• Electrochemistry

Background:

• Platinum telluride (PtTe) is a layered bulk material with metallic character, even in its monolayer form.
• Its low interlayer energy facilitates chemical exfoliation for creating 2D materials.
• Platinum-based materials are crucial for catalyzing the oxygen reduction reaction (ORR) in fuel cells.

Purpose of the Study:

• To computationally investigate the catalytic performance of monolayer PtTe for the oxygen reduction reaction (ORR).
• To evaluate monolayer PtTe as a potential substitute for conventional platinum electrodes in fuel cell applications.

Main Methods:

• First-principles calculations were employed to study the structural and electronic properties of PtTe.
• Computational methods were used to assess the catalytic activity and selectivity of monolayer PtTe for ORR.

Main Results:

• Monolayer PtTe maintains its structure and metallic properties.
• The basal plane of monolayer PtTe exhibits excellent catalytic activity for ORR, with a half-wave potential of approximately 0.90 V.
• High selectivity for the four-electron reduction pathway was observed, indicating efficient ORR catalysis.

Conclusions:

• Monolayer PtTe demonstrates superior catalytic performance compared to traditional platinum electrodes.
• It offers reduced platinum content, high platinum utilization, and a large surface area.
• Monolayer PtTe is a promising candidate material for advanced fuel cell components.