Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework-Reference-Cited by-同舟云学术

Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework

Published:2018 Issue:36 Volume:20 Page:23740-23746
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sun Weiguo¹²³⁴⁵^ORCID,Xia Xinxin⁵⁶⁷⁴,Lu Cheng¹²³⁴⁸^ORCID,Kuang Xiaoyu⁵⁶⁷⁴^ORCID,Hermann Andreas⁹¹⁰¹¹¹²¹³

Affiliation:

1. Department of Physics

2. Nanyang Normal University

3. Nanyang 473061

4. China

5. Institute of Atomic and Molecular Physics

6. Sichuan University

7. Chengdu 610065

8. Department of Physics and High Pressure Science and Engineering Center

9. Centre for Science at Extreme Conditions and SUPA

10. School of Physics and Astronomy

11. The University of Edinburgh

12. Edinburgh EH9 3JZ

13. UK

Abstract

The lowest-energy structure ZrB₁₂ shows that the dopant Zr atom breaks the triangle B₃ present in other M@B₁₂ clusters (M = Co, Rh, Ir) to form a quasi-linear B₃ unit in the B₁₂ motif and induce strong Zr–B interactions that enhance the stability of the neutral half-sandwich ZrB₁₂ cluster.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03384F

Reference66 articles.

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