TY - JOUR AU - Molina Martín, Luis Miguel AU - Alonso Martín, Julio Alfonso PY - 2026 SN - 1463-9076 UR - https://uvadoc.uva.es/handle/10324/81021 AB - Density functional theory (DFT) simulations have been performed to study the structure and physico-chemical properties of bimetallic PtxZry nanoclusters, for stoichiometries rich in platinum, and sizes ranging from Pt3Zr to Pt72Zr24. For each cluster,... LA - eng PB - The Royal Society of Chemistry KW - Density functional theory KW - Nanoalloys TI - Structural and chemical properties of Pt-rich PtxZry nanoalloys DO - 10.1039/D5CP02864G ER -