Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties

Author:

Mortazavi Bohayra1234ORCID,Makaremi Meysam5678,Shahrokhi Masoud910111213,Raeisi Mostafa14151617,Singh Chandra Veer567818ORCID,Rabczuk Timon1920212223,Pereira Luiz Felipe C.24252627ORCID

Affiliation:

1. Institute of Structural Mechanics

2. Bauhaus-Universität Weimar

3. D-99423 Weimar

4. Germany

5. Department of Materials Science and Engineering

6. University of Toronto

7. Toronto

8. Canada

9. Institute of Chemical Research of Catalonia

10. ICIQ

11. The Barcelona Institute of Science and Technology

12. ES-43007 Tarragona

13. Spain

14. Mechanical Engineering Department

15. Imam Khomeini International University

16. Qazvin

17. Iran

18. Department of Mechanical and Industrial Engineering

19. College of Civil Engineering

20. Department of Geotechnical Engineering

21. Tongji University

22. Shanghai

23. China

24. Departamento de Fisica

25. Universidade Federal do Rio Grande do Norte

26. 59078-970 Natal

27. Brazil

Abstract

Mechanical properties, thermal conductivity, electronic and optical responses of borophene hydride, a newly synthesized 2D material are explored using the first-principles simulations.

Funder

European Research Council

University of Toronto

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Natural Sciences and Engineering Research Council of Canada

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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