V-doped activated Ru/Ti2.5V0.5C2 dual-active center accelerate hydrogen production from ammonia borane

Designing and constructing the active center of Ru-based catalysts is the key to efficient hydrolysis of ammonia borane (NH 3 BH 3 , AB) for hydrogen production. Herein, V-doped Ru/Ti 2.5 V 0.5 C 2 dual-active center catalysts were synthesized, showing excellent catalytic ability for AB hydrolysis. The corresponding turnover frequency value was 1072 min −1 at 298 K, and the hydrolysis rate r B of AB was 235 × 10 3 mL·min −1 ·g Ru –1 . X-ray photoelectron spectroscopy results indicated that the interaction between V-doped Ti 3 C 2 and catalytic metal Ru transfers electrons from Ti to Ru, resulting in electron-rich Ru species. According to density functional theory calculations, the activation energy and reaction dissociation energy of the reactants AB and H 2 O on V-doped catalysts were lower than those of Ru/Ti 3 C 2 , thus optimizing the catalytic kinetics of AB hydrolysis. The modification strategy of V-doped Ti 3 C 2 provides a new pathway for the development of high-performance catalysts for AB hydrolysis.