Table 1 Number of Fe and Cu atoms and radius (Å) for the simulation of core-shell and Janus FeCu nanoparticles.
Nanoparticle (sizes) | No. of atoms | Fe/Cu ratio | |
---|---|---|---|
Fe | Cu | ||
Core-shell | |||
(25,30) | 5601 | 2634 | 2.13 |
(25,40) | 5601 | 15,700 | 0.36 |
(25,50) | 5601 | 37,152 | 0.15 |
(30,45) | 9577 | 20,788 | 0.46 |
(35,50) | 15,353 | 26,158 | 0.59 |
Janus | |||
(25,25) | 5601 | 5546 | 1.0 |
(25,35) | 5601 | 15,227 | 0.37 |
(25,45) | 5601 | 32,349 | 0.17 |