Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k-means Clustering Algorithm

Here, we report density functional theory calculations combined with the k-means clustering algorithm and the Spearman rank correlation analysis to investigate the stability mechanisms of eight-atom binary metal AB clusters, where A and B are Fe, Co, Ni, Cu, Ga, Al, and Zn (7 unary and 21 binary clu...

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Bibliographic Details

Published in:	Journal of chemical information and modeling Vol. 61; no. 7; p. 3411
Main Authors:	Orlando Morais, Felipe, Andriani, Karla F, Da Silva, Juarez L F
Format:	Journal Article
Language:	English
Published:	26.07.2021
ISSN:	1549-960X, 1549-960X
Online Access:	Get more information
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