Table 1 Nanocluster energy at different positions of a carbon atom and a nickel atom
Equivalent positions of the Ni atom when a C atom occupies the TIS | Type of ratio PB highs | Δu 1 \( \left(\frac{\mathsf{meV}}{\mathsf{atom}}\right) \) | Δu 2 \( \left(\frac{\mathrm{meV}}{\mathrm{atom}}\right) \) | Δu min1,2/Δu max1,2 % | Δ \( \left(\frac{\mathrm{meV}}{\mathrm{atom}}\right) \) | Δ−Δu max1,2 \( \left(\frac{\mathrm{meV}}{\mathrm{atom}}\right) \) | (Δ−Δu max1,2)/Δ % |
---|---|---|---|---|---|---|---|
12 = = 11 = 14 | a | 440 | 425 | 3,5 | 505 535 | 65 95 | 13,0 18,0 |
4 | b | 370 | 335 | 9,5 | 430 | 60 | 14,0 |
2 = 3 = 5 = 6 = 7 = 8 | b | 370 | 345 | 7,0 | 460 | 90 | 19,5 |
1 = = 9 = 13 | b | 325 | 215 | 34,0 | 430 460 | 105 135 | 24,5 29,5 |
10 | c | 325 | 360 | −10,0 | 505 | 145 | 29,0 |