Atomistic insights into the morphological dynamics of gold and platinum nanoparticles: MD simulations in vacuum and aqueous media.

ABSTRACT: The thermal response of gold and platinum spherical nanoparticles (NPs) upon cooling is studied through atomistic molecular dynamics simulations. The goal is to identify the morphological transformations occurring in the nanomaterials as well as to quantify their dependence on temperature, chemistry, and NP size. For diameters smaller than 3 nm, the transition temperature from a melted/amorphous to a highly crystalline state varies considerably with NP size. For larger NPs, the transition temperature is almost diameter-independent, yet it differs considerably from the transition temperature of the respective bulk materials. The platinum NPs possess a higher level of crystallinity than the gold counterparts under the same conditions because of the stronger cohesive forces that drive the cry

SUBMITTER: Voyiatzis E 

PROVIDER: S-EPMC11318634 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature