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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 48(21), p. 26637-26646, 2019

DOI: 10.1039/c9cp04762j

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Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15−nO30 nanoclusters

Journal article published in 2019 by Priscilla Felício-Sousa ORCID, Johnatan Mucelini ORCID, Larissa Zibordi-Besse ORCID, Karla F. Andriani ORCID, Yohanna Seminovski, Ronaldo C. Prati ORCID, Juarez L. F. Da Silva ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

In this work, we report a DFT investigation combined with Spearman correlation analysis of the energetic, structural and electronic properties of mixed CenZr15−nO30 nanoclusters as a function of the composition (n = 0, 1,…,14, 15).