Jump to main content
Jump to site search

Issue 35, 2019
Previous Article Next Article

Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries

Author affiliations

Abstract

Two-dimensional (2D) materials, owing to their unique properties, have shown great potential for energy storage. In this work, we predict two types of new 2D transition metal carbides and nitrides, namely, tetragonal V2C2 and V2N2 (tetr-V2C2 and tetr-V2N2) monolayer sheets. Comprehensive first-principle calculations show that these two 2D systems exhibit dynamic (thermal) stabilities and intrinsic metallic nature. Compared with the commercialized graphite anode material, tetr-V2C2 and tetr-V2N2 monolayer sheets exhibit lower Li diffusion barrier of 89 and 94 meV, higher theoretical capacity of 412 and 425 mA h g−1 and lower average open circuit of 0.468 and 0.583 V, respectively. Combining those advanced features, our proposed tetr-V2C2 and tetr-V2N2 monolayer sheets are both promising candidates as anode materials for lithium-ion batteries (LIBs) in the future.

Graphical abstract: Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries

Back to tab navigation

Supplementary files

Publication details

The article was received on 15 Jul 2019, accepted on 13 Aug 2019 and first published on 14 Aug 2019


Article type: Paper
DOI: 10.1039/C9CP03954F
Phys. Chem. Chem. Phys., 2019,21, 19513-19520

  •   Request permissions

    Novel two-dimensional tetragonal vanadium carbides and nitrides as promising materials for Li-ion batteries

    Y. Wu, T. Bo, J. Zhang, Z. Lu, Z. Wang, Y. Li and B. Wang, Phys. Chem. Chem. Phys., 2019, 21, 19513
    DOI: 10.1039/C9CP03954F

Search articles by author

Spotlight

Advertisements