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

Maintenance work is planned for Monday 16 August 2021 from 07:00 to 23:59 (BST).

Website performance may be temporarily affected and you may not be able to access some PDFs or images. If this does happen, refreshing your web browser should resolve the issue. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 42, 2016

Ab initio investigations on bulk and monolayer V2O5 as cathode materials for Li-, Na-, K- and Mg-ion batteries

Author affiliations

Abstract

First-principles computations based on density functional theory (DFT) were performed to investigate the performance of bulk and monolayer V2O5 as the cathode material for Li-, Na-, K- and Mg-ion batteries. Both the average voltage and ion migration barrier were studied. The results indicate that alkali metal ions with a large ionic radius (such as Na and K) have much lower migration barriers (0.44 and 0.39 eV for Na and K, respectively) on monolayer V2O5 than in bulk V2O5 (1.17 and 1.66 eV) without great voltage loss, while for Li polymorphs, the difference between monolayer and bulk V2O5 is minimal. However, the performance of monolayer V2O5 is not ideal enough as the cathode material for multivalent metal-ion (such as Mg) batteries. As a result, for Na- and K-ion batteries with a large ionic size, monolayer V2O5 is an attractive cathode material.

Graphical abstract: Ab initio investigations on bulk and monolayer V2O5 as cathode materials for Li-, Na-, K- and Mg-ion batteries

Article information


Submitted
14 Jun 2016
Accepted
14 Sep 2016
First published
15 Sep 2016

J. Mater. Chem. A, 2016,4, 16606-16611
Article type
Paper

Ab initio investigations on bulk and monolayer V2O5 as cathode materials for Li-, Na-, K- and Mg-ion batteries

X. Zhao, X. Zhang, D. Wu, H. Zhang, F. Ding and Z. Zhou, J. Mater. Chem. A, 2016, 4, 16606 DOI: 10.1039/C6TA04986A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements