The structure of oxide-supported metal nanoclusters plays an essential role in their sharply
enhanced catalytic activity over that of bulk metals. Simulations provide the atomic-scale …

Platinum (Pt) subnanoclusters have become pivotal in nanocatalysis, yet their molecular
adsorption mechanisms, particularly on supported versus unsupported systems, remain …

Transition metal clusters have garnered considerable attention as fascinating nanoscale
entities with unique properties that transcend the behavior of isolated atoms and bulk …

Gold and silver subnanoclusters with few atoms are prominent candidates for catalysis‐
related applications, primarily because of the large fraction of lower‐coordinated atoms …

S2 a correct description of the vdW interactions, 4 we employed the vdW D3 correction
proposed by Grimme. 5, 6 To solve the Kohn–Sham (KS) equations, we employed the …

Dissertação (Mestrado em Física)-Programa de Pós-Graduação em Física, Instituto de
Física e Matemática, Universidade Federal de Pelotas, Pelotas, 2024. Subnanoclusters de …