Efficient and selective upgrading of biomass-derived furfural into 1,5 pentanediol by Co2+ etched ZIF-8 derived ZnCo layered double hydroxides nanoflake

Selective ring-opening hydrogenolysis of furfural (FF) to 1,5 pentanediol (1,5-PeD) is crucial for biomass valorization. However, achieving accurate bond-breaking is challenging. Herein, we report a facile method to synthesize layered double hydroxide nanoflake (ZnCo-LDH) mediated via Co2+ etching ZIF-8 with NaBH4 in water at ambient temperature. The structure, morphology, and chemical properties of synthesis catalysts with different concentrations of Co2+ were characterized. The results indicated a partial ZIF-8 structure in ZnCo-LDH, with increased Co2+ concentrations leading to catalyst agglomeration. Furthermore, the constitutive relationships between the catalyst’s properties and 1.5-PeD yields were established. Moreover, Co introduction altered the catalyst surface’s Brønsted and Lewis acids content. Density functional theory (DFT) indicated enhanced H2 adsorption and dissociation due to electro-transfer between Co and Zn species, with a tilted configuration favoring ring opening. Finally, a possible reaction mechanism was proposed. This work provides valuable insights for preparing ultrathin nanoflake ZnCo-LDH catalysts for biomass-derived furfur compound upgrading.