Barium-induced lattice expansion of Ni(OH)2: enhancing catalytic urea oxidation activity for energy-saving H2 production

Abstract

Constructing an environmentally friendly and efficient electrocatalyst holds important and profound significance for energy-efficient hydrogen production. Replacing the oxygen evolution reaction with a lower potential urea oxidation reaction (UOR) may save energy in water electrolysis to produce hydrogen. The UOR is characterized by its high energy barrier, which results in slow reaction kinetics. In this study, we introduced Ba(OH)₂ into Ni(OH)₂ to form uniform nanosheets. Due to the introduction of Ba²⁺, the lattice expansion of Ni(OH)₂ was triggered, leading to significant improvement in UOR activity. The catalyst achieved a current density of 100 mA cm⁻² at only 1.316 V and exhibited remarkable stability over time. Density functional theory (DFT) calculations demonstrate that the Ba–Ni(OH)₂ site significantly reduces the energy barrier for urea adsorption, intermediate steps, and desorption. This work provides a novel and environmentally friendly strategy for constructing energy-efficient and highly efficient catalysts through the doping of alkaline earth metals.