Articles with "adft" as a keyword



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

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Published in 2025 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-025-06305-y

Abstract: 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… read more here.

Keywords: adft; pd19 pd18cu; pd17cu2 nanoclusters; structures properties ... See more keywords