Applying electrochemical nitrate reduction reaction (NO3RR) to produce ammonia offers a sustainable alternative to the energy-intensive Haber-Bosch process, which is crucial for clean energy and agricultural applications. While 2D MXenes hold great promise as electrocatalysts for NO3RR, their application for ammonia production remains underexplored. This study combines experimental and theoretical approaches to evaluate the catalytic performance of a series of MXenes with different central metal atoms for NO3RR. Among the materials studied (Ti3C2Tx, Ti3CNTx, Ti2CTx, V2CTx, Cr2CTx, Nb2CTx, and Ta2CTx), Ti3-based MXenes exhibit superior faradaic efficiency, ammonia yield rate, and stability. Density functional theory calculations offer further insights explaining the structure-activity-based observations. This research establishes a foundation for future studies aimed at leveraging MXenes for electrochemical nitrate reduction for green synthesis of ammonia.

• Klíčová slova
• 2D materials, catalysis, electrochemistry,
• Publikační typ
• časopisecké články MeSH