Boosted Reactivity of Ammonia Borane Dehydrogenation over Ni/Ni₂P Heterostructure

Abstract

Ammonia borane (AB) is regarded as a highly promising candidate for chemical hydrogen-storage materials. Developing low-cost yet efficient catalysts for the dehydrogenation of AB is central to achieving hydrogen conversion. Here a heterostructure of Ni/Ni₂P nanoparticles deposited on a defective carbon framework for the hydrolysis of AB is developed by elaborately controlling phosphorization conditions. The electronic structure and interfacial interaction of the ternary components are probed by synchrotron-based X-ray absorption fine structure and further simulated via density functional theory. By adjusting the content of Ni and Ni₂P in the hetrostructure, the optimized hybrid exhibits catalytic performance of H₂ generation from the hydrolysis of AB under ambient conditions with a turnover frequency of 68.3 mol (H₂) mol^-1 (Cat) min^-1 and an activation energy ( E_a) of 44.99 kJ mol^-1, implying its high potential as an efficient supplement for noble-metal-based catalysts in hydrogen energy applications.