Heteroepitaxial Growth of B₅‐Site‐Rich Ru Nanoparticles Guided by Hexagonal Boron Nitride for Low‐Temperature Ammonia Dehydrogenation

Abstract

to achieve carbon neutrality. Owing to its high energy density, ease of liquefaction, and well-established transportation infrastructure, the use of ammonia as a hydrogen carrier can potentially overcome the temporal and geographical imbalance between the supply and demand for renewable energy. [1][2][3][4] Specifically, CO 2free hydrogen produced using renewable energy is converted into ammonia, which is then shipped to a desired site using existing transport infrastructure. Finally, the hydrogen stored in the delivered ammonia is extracted through a chemical reaction and then used for energy generation in conjunction with fuel cells and H 2 turbines. Because mass production, storage, and transportation of ammonia are currently commercialized, ammonia dehydrogenation is the key process for completing the ammonia-based clean energy production-utilization cycle; thus, developing highly active and durable catalysts for ammonia dehydrogenation is necessary.The ammonia dehydrogenation process is a multistep reaction comprising NH 3 adsorption, three NH bond cleavage

Morphology-dependent adsorption energetics of Ru nanoparticles on hcp-boron nitride (001) surface – a first-principles study

“… 13 Our experimental group also reported a novel synthesis method in which Ru NPs with abundant B 5 -sites were successfully grown on a h-BN support using selective morphology-control driven by nanoscale heteroepitaxy for low-temperature ammonia dehydrogenation. 14 Notably, the synthesized catalyst exhibited better activity for ammonia dehydrogenation compared to previously reported catalysts. Herein, to gain fundamental insight into this novel synthesis method, we investigated different facets and morphologies of Ru NPs adsorbed onto h-BN supports using density functional theory (DFT) calculations.…”