First principles study on the interfacial properties of NM/graphdiyne (NMÂ =Â Pd, Pt, Rh and Ir): The implications for NM growing

- The NM adatoms belong to embedded adsorption in 18C-hexagon of GDY.
- The Rh and Ir/GDY can be applied to single metal catalysts or sensors.
- A simple linear relationship between Ee-ads and Eb is presented.
- The linear relationship can be used in the noble metal modified GDY.