Embedding of atoms into the nanopore sites of the C6N6 and C6N8 porous carbon nitride monolayers with tunable electronic properties-Reference-Cited by-同舟云学术

Embedding of atoms into the nanopore sites of the C6N6 and C6N8 porous carbon nitride monolayers with tunable electronic properties

Published:2020 Issue:11 Volume:22 Page:6418-6433
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bafekry Asadollah¹²³⁴¹^ORCID,Stampfl Catherine⁵⁶⁷^ORCID,Akgenc Berna¹⁸⁹¹⁰,Mortazavi Bohayra¹¹¹²¹³¹⁴¹⁵^ORCID,Ghergherehchi Mitra¹⁶¹⁷¹⁸¹⁹,Nguyen Ch. V.²⁰²¹²²²³

Affiliation:

1. Department of Physics

2. University of Guilan

3. Rasht

4. Iran

5. School of Physics

6. The University of Sydney

7. Australia

8. Kirklareli University

9. Kirklareli

10. Turkey

11. Institute of Continuum Mechanics

12. Leibniz Universität Hannover

13. 30157 Hannover

14. Germany

15. Cluster of Excellence PhoenixD (Photonics, Optics, and Engineering-Innovation Across Disciplines)

16. College of Electronic and Electrical Engineering

17. Sungkyun Kwan University

18. Suwon

19. Korea

20. Department of Materials Science and Engineering

21. Le Quy Don Technical University

22. Hanoi

23. Vietnam

Abstract

Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C₆N₆ and C₆N₈ monolayers.

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/2020/CP/D0CP00093K

Reference107 articles.

1. Topological insulator states in a honeycomb lattice of s-triazines

2. Mechanical and electronic properties of graphitic carbon nitride sheet: First-principles calculations

3. First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride

4. g-C3N4 photoanode for photoelectrocatalytic synergistic pollutant degradation and hydrogen evolution

5. Trap effects on vacancy defect of C3N as anode material in Li-ion battery

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