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

Abstract

Designing and constructing the active center of Ru-based catalysts is the key to efficient hydrolysis of ammonia borane (NH3BH3, AB) for hydrogen production. Herein, V-doped Ru/Ti2.5V0.5C2 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 rB of AB was 235 × 103 mL·min−1·gRu–1. X-ray photoelectron spectroscopy results indicated that the interaction between V-doped Ti3C2 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 H2O on V-doped catalysts were lower than those of Ru/Ti3C2, thus optimizing the catalytic kinetics of AB hydrolysis. The modification strategy of V-doped Ti3C2 provides a new pathway for the development of high-performance catalysts for AB hydrolysis.