Competition between tubular, planar and cage geometries: a complete picture of structural evolution of Bn (n = 31

Competition between tubular, planar and cage geometries: a complete picture of structural evolution of Bn (n = 31–50) clusters

Published:2020 Issue:23 Volume:22 Page:12959-12966
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wu Xue¹²³⁴⁵^ORCID,Sai Linwei¹²³⁴,Zhou Si⁵⁶⁷⁸⁴^ORCID,Zhou Panwang⁹¹⁰¹¹¹²⁴^ORCID,Chen Maodu⁵⁶⁷⁸⁴^ORCID,Springborg Michael¹³¹⁴¹⁵¹⁶,Zhao Jijun⁵⁶⁷⁸⁴^ORCID

Affiliation:

1. College of Science

2. Hohai University

3. Changzhou 213022

4. China

5. Key Laboratory of Materials Modification by Laser

6. Ion and Electron Beams (Dalian University of Technology)

7. Ministry of Education

8. Dalian 116024

9. Institute of Molecular Sciences and Engineering

10. Institute of Frontier and Interdisciplinary Science

11. Shandong University

12. Qingdao 266235

13. Physical and Theoretical Chemistry

14. University of Saarland

15. Saarbrücken 66123

16. Germany

Abstract

Stimulated by the early theoretical prediction of B₈₀ fullerene and the experimental finding of the B₄₀ cage, the structures of medium-sized boron clusters have attracted intensive research interest during the last decade, but a complete picture of their size-dependent structural evolution remains a puzzle.

Funder

National Natural Science Foundation of China

China Scholarship Council

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01256D

Reference67 articles.

1. I. Boustani , Chemical Modelling: Applications and Theory , 2011 , vol. 8, pp. 1–44