Interpretable Ensemble Learning Reveals the d z 2 -Orbital-Regulated H Adsorption Mechanism of Metal-Doped Ni/BN Catalysts
The activity of single-atom catalysts (SACs) is limited by the intrinsic properties of the supported metal elements, and it is difficult to simultaneously achieve high catalytic activity and structural stability. Due to the wide variety of doped metal species and the fact that their performance is influenced by multipl...