Generalized nano-thermodynamic model for capturing size-dependent surface segregation in multi-metal alloy nanoparticles.

ABSTRACT: Multi-metal alloy nanoparticles (NPs) offer new avenues for exploration and design of nanoscale-properties, e.g., catalytic, electronic and optical properties, by virtue of their tunable composition. A method that can aid such exploration by accurately predicting the size-, shape- and composition-dependent elemental distribution associated with nanomaterials is crucially missing. A nano-thermodynamic model based on distribution coefficients Δ is introduced to fill this gap. Δ is employed to predict surface segregation in NPs as a function of the NP size and composition. Interestingly, we find Δ to be independent of size for NPs beyond 2 nm. This key finding motivates the construction of thermodynamic tables for distribution coefficients using segregation observe

SUBMITTER: Divi S 

PROVIDER: S-EPMC9087905 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature