Structural transformation in Pd nanoclusters induced by Cu doping: an ADFT study.

ABSTRACT:

Context

Transition metal nanoparticles have gained great importance due to their promising applications in various fields such as energy, electronics, medicine, and agriculture. For these applications, materials with outstanding properties are currently required. Therefore, different strategies have been established to improve the properties of pure nanoparticles such as alloying, doping, and formation of composites. Among these strategies, doping is gaining great importance because it has been demonstrated that doped nanoparticles have better properties than pure nanoparticles. Therefore, it is essential to know the role of doping on the structures and properties of clusters with more than 16 atoms. Consequently, in this study, we propose a theoretical study of structures and prop

SUBMITTER: Santiago-Silva L 

PROVIDER: S-EPMC11811464 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature