Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al₂O₃ Surfaces.

ABSTRACT: Nanoparticle sintering remains a critical challenge in heterogeneous catalysis. In this work, we present a unified deep potential (DP) model based on the Perdew-Burke-Ernzerhof approximation of density functional theory for Cu nanoparticles on three Al₂O₃ surfaces (γ-Al₂O₃(100), γ-Al₂O₃(110), and α-Al₂O₃(0001)). Using DP-accelerated simulations, we reveal that the nanoparticle size-mobility relationship strongly depends on the supporting surface. The diffusion of nanoparticles on the two γ-Al₂O₃ surfaces is almost independent of the size of the nanoparticle, while the diffusion on α-Al₂O₃(0001) decreases rapidly with increasing size. Interestingly, nanoparticl

SUBMITTER: Xu J 

PROVIDER: S-EPMC12369016 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature