Nb-based MXenes for Li-ion battery applications

J. Zhu, A. Chroneos, U. Schwingenschlögl

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Li-ion batteries depend critically on the stability and capacity of the electrodes. In this respect the recently synthesized two-dimensional MXenes are promising materials, as they combine an excellent Li-ion capacity with very high charging rates. We employ density functional theory to investigate the impact of Li adsorption on the structural and electronic properties of monolayer Nb2C and Nb2CX2. The Li ions are predicted to migrate easily on the pristine MXene due to a diffusion barrier of only 36 meV, whereas larger diffusion barriers are obtained for the functionalized MXenes.
Original languageEnglish
Pages (from-to)726-729
Journalphysica status solidi (RRL) - Rapid Research Letters
Volume9
Issue number12
DOIs
Publication statusPublished - Nov 2015

Bibliographical note

This paper is not yet available on the repository

Keywords

  • Nb2C
  • MXene
  • niobium
  • Li-ion batteries
  • electrodes
  • first principles
  • two-dimensional materials

Fingerprint Dive into the research topics of 'Nb-based MXenes for Li-ion battery applications'. Together they form a unique fingerprint.

  • Cite this