N-, B-, P-, Al-, As-, and Ga-graphdiyne/graphyne lattices: first-principles investigation of mechanical, optical and electronic properties

Author:

Mortazavi Bohayra12345ORCID,Shahrokhi Masoud678910,Madjet Mohamed E.11121314ORCID,Hussain Tanveer1516171819ORCID,Zhuang Xiaoying202122,Rabczuk Timon1234

Affiliation:

1. Institute of Research & Development

2. Duy Tan University

3. Da Nang

4. Vietnam

5. Institute of Structural Mechanics

6. Department of Physics

7. Faculty of Science

8. Razi University

9. Kermanshah

10. Iran

11. Qatar Environment and Energy Research Institute

12. Hamad Bin Khalifa University

13. Doha

14. Qatar

15. School of Molecular Sciences

16. The University of Western Australia

17. Perth

18. Australia

19. Centre for Theoretical and Computational Molecular Science

20. Cluster of Excellence PhoenixD (Photonics, Optics, and Engineering–Innovation Across Disciplines)

21. Hannover

22. Germany

Abstract

We predicted novel N-, B-, P-, Al-, As-, Ga-graphdiyne/graphyne 2D lattices and explored their mechanical, thermal stability, electronic and optical characteristics.

Funder

European Research Council

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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