Revealing Interfacial Hydrogen Spillover in MoO3/Co@CoO for Aviation Biofuel Synthesis

Elucidating the role of hydrogen spillover in regulating the active sites of metal-acid catalysts is essential to enable selective lignin hydrodeoxygenation toward aviation biofuels. Herein, we developed a MoO3/Co@CoO catalyst that enables efficient hydrodeoxygenation of lignin and its derivatives into aviation biofuels. The catalyst achieved nearly complete conversion of monomeric phenolic derivatives with ∼99% selectivity toward aviation-range hydrocarbons, while lignin afforded 16.3 wt % liquid hydrocarbons with 53.2% selectivity to aviation-range hydrocarbons under mild conditions. Structural analyses confirmed the formation of a Co@CoO core−shell architecture and Co−O−Mo interfacial bonding. Combined experimental and DFT studies revealed that Co0 sites facilitate H2 dissociation, whereas the Co−O−Mo interface enables accelerated hydrogen spillover from Co to Mo species, generating Brønsted acid sites (Mo−OH) and driving the selective formation of aviation biofuel components. This work offers fundamental insights into rationally controlling hydrogen spillover via interface engineering in metal-acid catalysts for lignin hydrodeoxygenation.