Table 1. Descriptors a εi in the topological energy expressions ETOPeqn (1) for the Pd70X70 NPs (see Methodology part) with their precision, δ, and accuracy, ΔE, values (in meV) and number of structures used for the fitting, NFIT.
X | Au | Ag | Cu | Zn |
ε Pd–X BOND | –13+4–6 | –1+2–2 | –26+5–5 | –160+52–40 |
ε X CORNER | –404+76–72 | –361+50–68 | 95+36–33 | –251+316–342 |
ε X EDGE | –301+52–77 | –289+78–129 | 147+46–45 | –205+280–243 |
ε X TERRACE | –200+52–64 | –163+43–64 | 183+42–40 | –90+231–234 |
ε LAYER | — | — | — | –105+29–38 |
N FIT | 32 | 53 | 127 | 28 |
δ | 115 | 150 | 360 | 348 |
ΔE | 26 | 29 | 171 | 0 |
a95% confidence intervals of εi are also given, e.g. –13+4–6 means that the interval is –19 to –9.