Catalyst Engineering and Mechanistic Insights into Electrochemical NOx Conversion in PEM Electrolyzer

Doctoral Thesis (2026)
Author(s)

M. Li (TU Delft - ChemE/Catalysis Engineering)

Contributor(s)

A. Urakawa – Promotor (TU Delft - ChemE/Catalysis Engineering)

R. Kortlever – Promotor (TU Delft - Large Scale Energy Storage)

DOI related publication
https://doi.org/10.4233/uuid:9a710eb7-4fe1-4bc3-a159-181b788ae9d5 Final published version
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Publication Year
2026
Language
English
Defense Date
31-03-2026
Awarding Institution
ISBN (print)
978-94-6534-310-5
Downloads counter
32
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Abstract

The transition to zero-carbon fertilizers challenges conventional ammonia production via the Haber-Bosch process. Electrochemical ammonia synthesis offers a sustainable alternative using only water, electricity, and nitrogen from waste streams such as nitrate and NOx. This dissertation employs a polymer electrolyte membrane (PEM) electrolyzer and addresses key cost and efficiency drivers through catalyst design, mechanistic analysis, and cell-level engineering.

Ru/C catalysts were optimized with polyvinylpyrrolidone (PVP), reducing Ru loading from 40 to 10 wt.% while enhancing NH₃ faradaic efficiency, electrochemical surface area, hydrogen binding, and wettability. Earth-abundant MoS₂ catalysts were phase-engineered to steer proton-electron transfer pathways for selective NO reduction. A CO-mediated poisoning strategy was developed to suppress the competing hydrogen evolution reaction, improving NH₃ selectivity.

Proof-of-concept C–N coupling for urea synthesis from bicarbonate and nitrate was demonstrated using gas-diffusion electrodes. Finally, a novel operando ATR-IR cell was designed to probe reaction mechanisms under realistic conditions, bridging the gap between batch-cell studies and PEM electrolyzer operation.

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