Surface modification of titanium carbide MXene monolayers (Ti2C and Ti3C2) via chalcogenide and halogenide atoms-Reference-Cited by-同舟云学术

Surface modification of titanium carbide MXene monolayers (Ti2C and Ti3C2) via chalcogenide and halogenide atoms

Published:2021 Issue:28 Volume:23 Page:15319-15328
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Faraji M.¹²³,Bafekry A.⁴⁵⁶⁷⁸^ORCID,Fadlallah M. M.⁹¹⁰¹¹¹²^ORCID,Molaei F.⁸¹³¹⁴¹⁵¹⁶^ORCID,Hieu N. N.¹⁷¹⁸¹⁹²⁰²¹^ORCID,Qian P.⁸²²²³²⁴^ORCID,Ghergherehchi M.²⁵²⁶²⁷²⁸,Gogova D.²⁹³⁰³¹^ORCID

Affiliation:

1. TOBB University of Economics and Technology

2. Ankara

3. Turkey

4. Department of Radiation Application

5. Shahid Beheshti University

6. Tehran

7. Iran

8. Department of Physics

9. Department of Mining and Geological Engineering

10. University of Arizona

11. Tucson

12. USA

13. Faculty of Science

14. Benha University

15. 13518 Benha

16. Egypt

17. Institute of Research and Development

18. Duy Tan University

19. Da Nang 550000

20. Vietnam

21. Faculty of Natural Sciences

22. University of Science and Technology Beijing

23. Beijing 100083

24. China

25. Department of Electrical and Computer Engineering

26. Sungkyunkwan University

27. 16419 Suwon

28. Korea

29. Central Laboratory of Solar Energy and New Energy Sources at the Bulg. Acad. Sci.

30. 1784 Sofia

31. Bulgaria

Abstract

Inspired by the recent successful growth of Ti₂C and Ti₃C₂ monolayers, here, we investigate the structural, electronic, and mechanical properties of functionalized Ti₂C and Ti₃C₂ monolayers with chalcogenide and halogenide atoms by means of density functional theory calculations.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP01788H

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