Fig. 1: The proposed working mechanism of Pd1+NPs/TiO2 synergistic catalyst.

The Pd1+NPs/TiO2 integrates both single-atom Pd and PdNPs sites on TiO2 surface, in which the single-atom Pd sites undertake the activation task of C=O group while PdNPs sites boost the dissociation of H2. The H atoms migrate to the C=O group bounded single-atom Pd sites to complete hydrogenation. The kelly balls represent Ti atoms, the blue balls represent O atoms, the brown balls represent C atoms, the cyan balls represent the Pd atoms, and the gray balls represent the H atoms.