Tuning the Solid-State Hydrogen Release of Ammonia Borane by Entrapping the Intermediates: The Role of High-Boiling-Point Amines

Ammonia borane is a promising hydrogen storage material due to its high hydrogen content, but its use as hydrogen carrier under thermal stimuli involves the production of several byproducts, such as borazine, reducing hydrogen purity and the overall efficiency. This work is focused on the use of high-boiling-point amines to modulate ammonia borane decomposition, aiming to enhance hydrogen release and suppress volatile NxBy species. Kissinger’s equation kinetics revealed that amines significantly influence the decomposition mechanism, and TGA-IR investigation showed a maximum of 2.4 wt.% of pure hydrogen release in the presence of triphenyl amine. Furthermore, the experimental data herein discussed, together with a computational study of activation energies, allowed us to derive a detailed mechanism that leads to a foundation for further advancement in the exploitation of ammonia borane as a hydrogen carrier, suggesting that the formation of linear species is anchored to amine over the release of borazine and production of poly borazine-like species.