Embedding functions for Pt and Pd: recalculation and verification on properties of bulk phases, Pt, Pd, and Pt–Pd nanoparticles

On the melting point depression, coalescence, and chemical ordering of bimetallic nanoparticles: the miscible Ni–Pt system

“…However, it can also be seen that the difference in melting temperatures (T Ni melt − T Pt melt ) decreases with increasing size. This indicates that a melting point inversion threshold-size should exist, also considering that bulk Pt has a higher melting point than bulk Ni (1837 vs. 1513 K, according to previous studies utilising the same inter-atomic potential as the current study 49,50 ).…”

“…All the values taken from literature of materials properties 56,57 necessary for the calculation of the nanophase diagrams are tabulated in Table 1; a similar table containing identical values for Ni and Pt (among other elements) also exists in ref. 49, since the authors used the same literature sources. Table 2 contains all the F values for NPs 3, 5, and 7 nm in body diagonal.…”