Spin-cross interface-inducing ultra-high catalytic activity in Co(OH)xPy-MXene toward alkali-free liquid hydrogen generation

Proclaiming the interfacial active sites of non-noble metals on supported catalysts is a paramount topic. Herein, a spin-cross interface (Co(OH) x P y (x/y=3.2)) in the intimate region between Co(OH) 2 and CoP is designed by in situ hydroxylation and P-inducing strategy. An ultra-high catalytic hydrogen generation activity with a turnover frequency of 1640 min −1 is achieved for hydrolysis of ammonia borane (NH 3 BH 3 ). Both experimental observations and computational simulations reveal that the spin-cross interface dramatically reduces the energy barriers for the dissociation of reactant molecules (NH 3 BH 3 and H 2 O) to expedite the catalytic activity . The coexistence of active interface and MXene create the ensembles of Co atoms coordinated by OH and P. The construction of active sites of Co(OH) x P y simultaneously boosts the adsorption and dissociation of H 2 O and NH 3 BH 3 molecules. This research provides new paradigm for the rational design of spin-induced catalysts in the future energy system depending on the activation of multi-molecules.