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Cited by 773

The DOI matches its Crossref record; 46 of the 46 references it cites were found in a registry or an index.

Ultrafast and Directional Diffusion of Lithium in Phosphorene for High-Performance Lithium-Ion Battery

Li, Weifeng, Yang, Yanmei, Zhang, Gang, Zhang, Yong-Wei·2015·Nano Letters
DOI 10.1021/nl504336h
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Abstract

Density functional theory calculations have been performed to investigate the binding and diffusion behavior of Li in phosphorene. Our studies reveal the following findings: (1) Li atom forms strong binding with phosphorus atoms and exists in the cationic state; (2) the shallow energy barrier (0.08 eV) of Li diffusion on monolayer phosphorene along zigzag direction leads to an ultrahigh diffusivity, which is estimated to be 10(2) (10(4)) times faster than that on MoS2 (graphene) at room temperature; (3) the large energy barrier (0.68 eV) along armchair direction results in a nearly forbidden diffusion, and such strong diffusion anisotropy is absent in graphene and MoS2; (4) a remarkably large average voltage of 2.9 V is predicted in the phosphorene-based Li-ion battery; and (5) a semiconducting to metallic transition induced by Li intercalation of phosphorene gives rise to a good electrical conductivity, ideal for use as an electrode. Given these advantages, it is expected that phosphorene will present abundant opportunities for applications in novel electronic device and lithium-ion battery with a high rate capability and high charging voltage.

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Metadata

Authors
Li, W., Yang, Y., Zhang, G., & Zhang, Y.-W.
Venue
Nano Letters
Publisher
American Chemical Society (ACS)
Published
2015-02-12
Volume
15
Issue
3
Pages
1691-1697
ISSN
  • 1530-6984 (ISSN-L)
  • 1530-6992
DOI
10.1021/nl504336h
OpenAlex
W2328723295
Cited by
773
References
46
FWCI
42.18
Type
journal article
Language
en
Open access
closed

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