Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 3, 2019
Previous Article Next Article

VC2 and V1/2Mn1/2C2 nanosheets with robust mechanical and thermal properties as promising materials for Li-ion batteries

Author affiliations

Abstract

In this paper, vanadium carbides VC2 and bi-transition-metal carbides V1/2Mn1/2C2 are predicted to be stable metallic nanosheets showing promising mechanical properties and their Young's moduli are 70.8 N m−1 and 83.7 N m−1, respectively. Ab initio molecular dynamics results showed that both VC2 and V1/2Mn1/2C2 can tolerate temperatures up to 1000 K showing favorable thermal properties. The excellent Li-ion specific energy storage capacity and low diffusion barrier also make them promising candidates as anode materials. In addition, nonmagnetic–ferromagnetic (–ferrimagnetic) transitions in VC2 and V1/2Mn1/2C2 can be tuned easily by oxygen or fluorine passivation.

Graphical abstract: VC2 and V1/2Mn1/2C2 nanosheets with robust mechanical and thermal properties as promising materials for Li-ion batteries

Back to tab navigation

Supplementary files

Publication details

The article was received on 18 Oct 2018, accepted on 14 Dec 2018 and first published on 15 Dec 2018


Article type: Paper
DOI: 10.1039/C8CP06487C
Citation: Phys. Chem. Chem. Phys., 2019,21, 1606-1613

  •   Request permissions

    VC2 and V1/2Mn1/2C2 nanosheets with robust mechanical and thermal properties as promising materials for Li-ion batteries

    B. Zhang, W. Zhang, Q. Meng, L. Fan and Q. Zhang, Phys. Chem. Chem. Phys., 2019, 21, 1606
    DOI: 10.1039/C8CP06487C

Search articles by author

Spotlight

Advertisements