Investigation on Structural, Relative Stable, and Electronic Properties of Binary AlnLin (n = 2 – 12) Clusters through Density Functional Theory

Investigation on Structural, Relative Stable, and Electronic Properties of Binary AlnLin (n = 2 – 12) Clusters through Density Functional Theory

In the present research, the structural, the relative stable, and the electronic properties of AlnLin (n = 2 – 12) clusters were investigated by density functional theory (DFT). By comparing the calculated values of Al2 and Li2 dimers with experimental ones, the reliability of the proposed method wa...

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Bibliographic Details
Main Authors: Lei SHI, Zhiqiang ZHOU, Tao QU, Dachun LIU, Xiumin CHEN, BaoQiang XU, Bin YANG, Yongnian DAI
Format: Article
Language:English
Published: Kaunas University of Technology 2019-12-01
Series:Medžiagotyra
Subjects:
alnlin clusters
density functional theory
structural
relative stable
electronic properties
Online Access:http://matsc.ktu.lt/index.php/MatSc/article/view/23558

Internet

http://matsc.ktu.lt/index.php/MatSc/article/view/23558

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