High-Entropy NiFeCoMo catalyst for effective hydrodeoxygenation of lignin derivatives to sustainable aviation fuel components

The hydrodeoxygenation (HDO) of biomass derived oils offers a viable route to produce sustainable aviation fuels, yet its large-scale application remains constrained by the reliance on noble metal catalysts. Herein, we report a high-entropy NiFeCoMo catalyst composed entirely of earth-abundant elements, which achieves noble-metal-level performance in the HDO of lignin-derived compounds. The catalyst exhibits remarkable activity and selectivity across a range of model compounds and their mixtures, reaching up to 99.9% conversion and 98.1% selectivity for methylcyclohexane even under mixed-feedstock conditions. Recyclability tests confirm excellent durability over five consecutive cycles without measurable loss of activity. Density functional theory calculations reveal that the synergistic electronic interaction among multiple metal sites induce strong hydrogen spillover, promoting the formation of oxygen vacancies that facilitate complete C-O bond cleavage. This work establishes high-entropy catalysts as a robust and sustainable alternative to precious metals for efficient biomass upgrading, offering new insights into the design of multifunctional active sites for selective hydrodeoxygenation.