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. Nhatet al., have discussed and commented on our article (DOI: 10.1039/D0CP04018E) for the case of the most stable structure of Ag15. 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 aC2vpoint group (15-2). In this reply, we have performed a larger structure search which allowed us to confirm the results of Nhatet al.The results show the existence of multiple isoenergetic isomers with similar structure motifs for the Ag15system, 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 según SCOPUS: Reply to ‘Comment on “Structural characterization, reactivity, and vibrational properties of silver clusters: A new global minimum for Ag16”’ by P. V. Nhat, N. T. Si, L. V. Duong and M. T. Nguyen,Phys. Chem. Chem. Phys., 2021,23, DOI: D1CP00646K
Título de la Revista: Physical Chemistry Chemical Physics
Volumen: 23
Número: 22
Editorial: Royal Society of Chemistry
Fecha de publicación: 2021
Página final: 12906
Idioma: English
Financiamiento/Sponsor: Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT) CONICYT FONDECYT 1180683 3190329
URL: https://doi.org/10.1039/D1CP01481A
DOI:

10.1039/d1cp01481a

Notas: SCOPUS - ISI ; SCOPUS ; SCIELO ; WOS ; PUBMED