Analysis of the structures, stabilities and electronic properties of MB16− (M = V, Cr, Mn, Fe, Co, Ni) clusters and assemblies

Author:

Li Cheng-Gang12345ORCID,Shen Zi-Gang12345,Zhang Jie12345,Cui Ying-Qi12345,Li Jing-Jie12345,Xue Hui-Yang12345,Li Hong-Fei67895,Ren Bao-Zeng1011125,Hu Yan-Fei131415516

Affiliation:

1. College of Physics and Electronic Engineering

2. Quantum Materials Research Center

3. Zhengzhou Normal University

4. Zhengzhou 450044

5. China

6. College of Physics Science and Information

7. Engineering and Hebei Advanced Thin Films Laboratory

8. Hebei Normal University

9. Shijiazhuang 050024

10. School of Chemical Engineering and Energy

11. Zhengzhou University

12. Zhengzhou 450001

13. School of Physics and Electronic Engineering

14. Sichuan University of Science & Engineering

15. Zigong 643000

16. National Key Laboratory for Shock Wave and Detonation Physics Research

Abstract

Stacking of lowest-energy structures of Fe2B24 and Co2B24 dimers.

Funder

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Education Department of Sichuan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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