Reply to 'Comment on "Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag-16"' by P. V. Nhat, N. T. Si, L. V. Duong and M. T. Nguyen, Phys. Chem. Chem. Phys., 2021, 23, DOI: D1CP00646K

Rodriguez-Kessler, Peter L.; Rodriguez-Dominguez, Adan R.; MacLeod-Carey, Desmond; Munoz-Castro, Alvaro

Abstract

Recently, P. V. Nhat et al., have discussed and commented on our article (DOI: 10.1039/D0CP04018E) for the case of the most stable structure of Ag-15. They have found a new most stable structure (labeled as 15-1) in comparison to the putative global minimum reported by us, which is a four layered 1-4-6-4 stacking structure with a C-2v point group (15-2). In this reply, we have performed a larger structure search which allowed us to confirm the results of Nhat et al. The results show the existence of multiple isoenergetic isomers with similar structure motifs for the Ag-15 system, increasing the problem complexity to locate the global minimum. The results in regard to the structure and electronic properties of the new lowest energy structure are discussed.

Más información

Título de la Revista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volumen: 23
Número: 22
Editorial: ROYAL SOC CHEMISTRY
Fecha de publicación: 2021
Página de inicio: 12904
Página final: 12906
Idioma: English
URL: http://dx.doi.org/10.1039/d1cp01481a
DOI:

10.1039/d1cp01481a

Notas: ISI