Table 1 An overview of the NP structures analyzed in this study.
Name | Reference | Number of atoms | Diameter (\(\mathring{\rm A}\)) | Median CN | Median NN bond length (\(\mathring{\rm A}\)) | Median radial strain (%) | Core ratio (fraction of atoms with CN = 12) |
|---|---|---|---|---|---|---|---|
Nanoparticle 1 (NP1) | 16 | 219 | 21.3 | 8.8 | 2.57 | 1.6 | 0.16 (35) |
NP2 | 16 | 357 | 25.1 | 9.5 | 2.76 | 4.4 | 0.40 (142) |
NP3 | 17 | 373 | 23.5 | 9.7 | 2.75 | 1.7 | 0.44 (163) |
NP4 | 17 | 390 | 23.7 | 9.8 | 2.75 | 1.8 | 0.46 (179) |
NP5 | 17 | 496 | 26.0 | 9.9 | 2.72 | 2.1 | 0.49 (242) |
NP6 | 17 | 569 | 27.3 | 9.9 | 2.64 | 4.7 | 0.43 (242) |
NP7 | 16 | 667 | 29.5 | 9.9 | 2.59 | 1.4 | 0.41 (275) |
NP8 | 17 | 710 | 30.0 | 10.1 | 2.64 | 1.8 | 0.51 (365) |