Formation of pyramidal structures through mixing gold and platinum atoms: the Au_xPt_y²⁺ clusters with x + y = 10.

ABSTRACT: The geometric and electronic structures of a small series of mixed gold and platinum Au_xPt_y²⁺ clusters, with x + y = 10, were investigated using quantum chemical methods. A consistent tetrahedral pyramid structure emerges, displaying two patterns of structural growth by a notable critical point at y = 5. This affects the clusters' electron population, chemical bonding, and stability. For the Pt-doped Au clusters with y values from 2 to 5, the bonds enable Pt atoms to assemble into symmetric line, triangle, quadrangle, and tetragonal pyramidal Pt_y blocks, respectively. For the Au-doped Pt clusters, with larger values of y > 5, the structures are more relaxed and the d electrons of Pt atoms be

SUBMITTER: Nguyen-Ha BN 

PROVIDER: S-EPMC10630918 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature