Understanding the Central Location of a Hexagonal Hole in a B36 Cluster

Lei Liu; Edison Osorio; Thomas Heine

doi:10.1002/asia.201601106

Understanding the Central Location of a Hexagonal Hole in a B₃₆ Cluster

Lei Liu, Edison Osorio, Thomas Heine

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The most stable form of a B₃₆ cluster has a central hexagonal hole. Such an interesting finding has led to the possible synthesis of a 2D boron sheet by employing the B₃₆ cluster as the building unit. Herein, a DFT study to investigate the reason for the central location of the hexagonal hole in the B₃₆ cluster is presented. The results show that the B₃₆ cluster with a central hexagonal hole is highly thermodynamically and kinetically stable. More importantly, such high stability is further understood through chemical bonding analysis.

Original language	English
Pages (from-to)	3220-3224
Number of pages	5
Journal	Chemistry - An Asian Journal
Volume	11
Issue number	22
DOIs	https://doi.org/10.1002/asia.201601106
Publication status	Published - 2016 Nov 22

Bibliographical note

Publisher Copyright:
© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

All Science Journal Classification (ASJC) codes

Biochemistry
Organic Chemistry

Access to Document

10.1002/asia.201601106

Cite this

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abstract = "The most stable form of a B36 cluster has a central hexagonal hole. Such an interesting finding has led to the possible synthesis of a 2D boron sheet by employing the B36 cluster as the building unit. Herein, a DFT study to investigate the reason for the central location of the hexagonal hole in the B36 cluster is presented. The results show that the B36 cluster with a central hexagonal hole is highly thermodynamically and kinetically stable. More importantly, such high stability is further understood through chemical bonding analysis.",

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