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
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 |