Electronic binding energy and thermal relaxation of Li and LiNa atomic alloying clusters

Author:

Bo Maolin12345,Guo Yongling56789,Wang Yan1011124,Liu Yonghui56789,Peng Cheng1234,Sun Chang Q.1314151617,Huang Yongli56789

Affiliation:

1. College of Mechanical and Electrical Engineering

2. Yangtze Normal University

3. Chongqing 408100

4. China

5. Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education)

6. Hunan Provincial Key Laboratory of Thin Film Materials and Devices

7. Faculty of Materials Science and Engineering

8. Xiangtan University

9. Hunan 411105

10. School of Information and Electronic Engineering

11. Hunan University of Science and Technology

12. Hunan 411201

13. NOVITAS

14. School of Electrical and Electronic Engineering

15. Nanyang Technological University

16. Singapore 639798

17. Singapore

Abstract

We examined the effects of atomic hetero- and under-coordination on the relaxation of the interatomic bonding and electronic binding energy of Li and LiNa cluster alloying using a combination of the bond-order-length-strength correlation and density functional theory calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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