Journal of Physical Chemistry C
Journal of Physical Chemistry C
5 years ago

Borophene as Efficient Sulfur Hosts for Lithium–Sulfur Batteries: Suppressing Shuttle Effect and Improving Conductivity

Borophene as Efficient Sulfur Hosts for Lithium–Sulfur Batteries: Suppressing Shuttle Effect and Improving Conductivity
Feng Li, Lin Zhang, Hai-bo Shu, Jie Huang, Qian-min Dong, Xiao-lei Man, Pei Liang, Dong-liang Chao
Stabilizing polysulfide shuttle while ensuring high sulfur loading holds the key to realizing high energy density of lithium–sulfur (Li–S) batteries. Herein we present our first-principles calculation on borophene as host of cathode in Li–S battery. The adsorption energies of sulfur cluster (S8) and its discharge products (Li2S8, Li2S6, Li2S4, Li2S2, and Li2S) on borophene are calculated. Our results indicate that borophene host can trap lithium polysulfides stably and effectively, which could avoid shuttle effect and improve the utilization of active material. The band structure of the adsorption structures shows that the borophene–sulfur cluster is metallic, while partial charge density proves that the conductivity is mainly due to the metallic borophene substrate. Such favorable electrical conductivity is helpful to the cathode charge/discharge processes. Therefore, borophene could be a promising host for S cathode due to its strong adsorption, high conductivity, and small deformation.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b03741

DOI: 10.1021/acs.jpcc.7b03741

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.