TMC (TM = Co, Ni, and Cu) monolayers with planar pentacoordinate carbon and their potential applications

Author:

Zhu Changyan12345,Lv Haifeng678910,Qu Xin11121345ORCID,Zhang Min12345ORCID,Wang Jianyun11121345,Wen Shizheng141516175ORCID,Li Quan11121345ORCID,Geng Yun12345ORCID,Su Zhongmin12345ORCID,Wu Xiaojun678910ORCID,Li Yafei1819202122ORCID,Ma Yanming11121345

Affiliation:

1. Institute of Functional Material Chemistry

2. Faculty of Chemistry & National & Local United Engineering Laboratory for Power Battery

3. Northeast Normal University

4. Changchun 130024

5. China

6. CAS Key Laboratory of Materials for Energy Conversion

7. School of Chemistry and Materials Sciences

8. CAS Center for Excellence in Nanoscience, and Hefei National Laboratory of Physical Sciences at the Microscale

9. University of Science and Technology of China

10. Hefei 230026

11. State Key Laboratory of Superhard Materials

12. College of Physics

13. Jilin University

14. Jiangsu Province Key Laboratory of Modern Measurement Technology and Intelligent Systems

15. School of Physics and Electronic Electrical Engineering

16. Huaiyin Normal University

17. Huaian 223000

18. Jiangsu Collaborative Innovation Centre of Biomedical Functional Materials

19. Jiangsu Key Laboratory of New Power Batteries

20. School of Chemistry and Materials Science

21. Nanjing Normal University

22. Nanjing 210023

Abstract

A class of stable TMC (TM = Co, Ni, and Cu) monolayers with entirely planar pentacoordinate carbon in their ground states and their promising functional applications in spintronics, electronics, and mechanics are identified through the swarm-intelligence structure search method and first-principles calculations.

Funder

National Natural Science Foundation of China

Education Department of Jilin Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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