Pd–Cu dual-site tuned H adsorption for efficient electrocatalytic hydrogenation of HMF

Ag/AgCl). Density functional theory (DFT) calculations demonstrate that Pd doping is crucial for enhancing the adsorption of H* and HMF* intermediates, thereby promoting the hydrogenation of HMF through the Langmuir-Hinshelwood (L-H) mechanism under neutral conditions. This work establishes a catalyst design paradigm where atomic-level dopant engineering regulates multistep protonation kinetics, offering fundamental insights into biomass electrorefining.