Chemical hardness (η), softness (S), chemical potential (μ) and Fermi level (EFL) of the most stable Pdn/coronene (n = 2–10) composites calculated at M06-2X/LANL2DZ.
| Composites | Chemical hardness | Softness | Chemical potential | Fermi level |
|---|---|---|---|---|
| Pd2/coronene | 2.40 | 1.04 | 3.61 | −3.61 |
| Pd3/coronene | 2.23 | 1.33 | 3.73 | −3.73 |
| Pd4/coronene | 1.87 | 2.07 | 4.11 | −4.11 |
| Pd5/coronene | 2.19 | 1.13 | 3.50 | −3.50 |
| Pd6/coronene | 2.16 | 1.27 | 3.60 | −3.60 |
| Pd7/coronene | 1.78 | 2.04 | 3.99 | −3.99 |
| Pd8/coronene | 1.97 | 1.90 | 4.04 | −4.04 |
| Pd9/coronene | 1.91 | 1.90 | 3.98 | −3.98 |
| Pd10/coronene | 1.86 | 2.03 | 4.06 | −4.06 |