Jump to main content
Jump to site search

Issue 16, 2016
Previous Article Next Article

Phosphorene as a promising anchoring material for lithium–sulfur batteries: a computational study

Author affiliations

Abstract

Effectively trapping lithium polysulfide (Li2Sx) species on host materials is an effective method to suppress the polysulfide shuttle, thus enhancing the cycling stability of Li–S batteries. In this work, by means of density functional theory (DFT) computations, we explore the adsorption and diffusion of various Li2Sx clusters on a phosphorene monolayer. Our results reveal that all the Li2Sx species can moderately bind with phosphorene, exhibit ultrahigh diffusivity along the zigzag direction, and enhance the electrical conductivity of phosphorene. Given these exceptional properties, it is expected that phosphorene can be utilized as a promising anchoring material for high-efficiency Li–S battery cathodes.

Graphical abstract: Phosphorene as a promising anchoring material for lithium–sulfur batteries: a computational study

Back to tab navigation

Supplementary files

Publication details

The article was received on 28 Jan 2016, accepted on 21 Mar 2016 and first published on 21 Mar 2016


Article type: Paper
DOI: 10.1039/C6TA00871B
Citation: J. Mater. Chem. A, 2016,4, 6124-6130
  •   Request permissions

    Phosphorene as a promising anchoring material for lithium–sulfur batteries: a computational study

    J. Zhao, Y. Yang, R. S. Katiyar and Z. Chen, J. Mater. Chem. A, 2016, 4, 6124
    DOI: 10.1039/C6TA00871B

Search articles by author

Spotlight

Advertisements