Ni–Pt alloy nanoparticles studies: Microscopy and molecular dynamics insights

In this work, we present a study on the synthesis and characterization of Ni–Pt alloy nanoparticles, integrating advanced experimental techniques with theoretical modeling to gain a detailed understanding of their morphology and structural stability. The nanoparticles were synthesized through a precisely controlled chemical approach designed to promote alloy homogeneity. High-resolution transmission electron microscopy (TEM) allowed direct observation of particle morphology, lattice arrangement, and structural diversity, revealing a range of shapes rather than a single uniform geometry. Among the observed structures, the Ni3Pt phase was the most prominent, appearing in both octahedral and cubic geometries with well-defined lattice fringes. Molecular Dynamics simulations confirmed the stability of these structures, reproduced their crystallographic features, and predicted a high melting point of approximately 2250 K. These combined results provide valuable insights into the relationship between composition, structure, and stability, highlighting potential applications in several fields such as catalysis, energy conversion, and advanced functional nanotechnology.