Ammonia decomposition on LaV(O,N)3-δ surfaces: toward a mechanistic understanding
File(s)
Published version (online first)
Author(s)
Type
Journal Article
Abstract
Ammonia, as a carbon-free hydrogen carrier, provides an efficient pathway for hydrogen transport, storage and utilisation in the green energy transition. To recover hydrogen from ammonia, perovskite-structured oxynitrides show promise as noble metal-free catalysts for ammonia decomposition, offering both encouraging catalytic performance and highly tuneable electronic properties. However, understanding of the critical catalytic pathways of these materials remains unresolved, with the nature of the active sites for ammonia decomposition on perovskite oxynitrides unclear. In this work, LaV(O,N)3−δ oxynitrides with varying nitrogen contents were synthesised and found to exhibit good catalytic activity. Machine learning interatomic potential (MLIP) simulations were employed to investigate the underlying mechanisms, revealing that anion vacancies play a critical role as active sites for ammonia decomposition. Furthermore, near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS) measurements were performed, showing the continuous surface nitridation processes occurring on the LaV(O,N)3−δ oxynitride. These results provide new insights into the reaction mechanisms of ammonia decomposition and underscore the innovative potential of perovskite oxynitrides as a pioneering class of noble metal-free catalysts, paving the way for sustainable hydrogen production through efficient ammonia decomposition.
Date Issued
2026-06-10
Date Acceptance
2026-06-08
Citation
Journal of Materials Chemistry A
ISSN
2050-7488
Publisher
Royal Society of Chemistry
Journal / Book Title
Journal of Materials Chemistry A
Copyright Statement
© 2026 The Author(s). Published by the Royal Society of Chemistry This article is licensed under a Creative Commons Attribution-Non Commercial 4.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.
License URL
Identifier
10.1039/d6ta03119f
Publication Status
Published online
Date Publish Online
2026-06-10