The Studies on Structure and Stability of CaBn Clusters

Calcium-boron systems have excellent properties of hardness, strength, and chemical stability, and we studied a series of CaBn clusters to investigate their structures and relative stability. The results showed the most stable structures of CaBn clusters are not planar. The B atoms tend to get toget...

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Bibliographic Details
Main Authors: Peilin Han, Fengli Chai, Bolin Qiao, Chunhui Liu
Format: Article
Language:English
Published: MDPI AG 2019-03-01
Series:Molecules
Subjects:
Online Access:http://www.mdpi.com/1420-3049/24/6/1011