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Title: Graphdiyne as a high-capacity lithium ion battery anode material

Using the first-principles calculations, we explored the feasibility of using graphdiyne, a 2D layer of sp and sp{sup 2} hybrid carbon networks, as lithium ion battery anodes. We found that the composite of the Li-intercalated multilayer α-graphdiyne was C{sub 6}Li{sub 7.31} and that the calculated voltage was suitable for the anode. The practical specific/volumetric capacities can reach up to 2719 mAh g{sup −1}/2032 mAh cm{sup −3}, much greater than the values of ∼372 mAh g{sup −1}/∼818 mAh cm{sup −3}, ∼1117 mAh g{sup −1}/∼1589 mAh cm{sup −3}, and ∼744 mAh g{sup −1} for graphite, graphynes, and γ-graphdiyne, respectively. Our calculations suggest that multilayer α-graphdiyne can serve as a promising high-capacity lithium ion battery anode.
Authors:
; ; ; ;  [1] ;  [2] ;  [3]
  1. School of Physics, Konkuk University, Seoul 143-701 (Korea, Republic of)
  2. School of Mechanical and Advanced Materials Engineering, Ulsan National Institute of Science and Technology (UNIST), Ulsan 689-798 (Korea, Republic of)
  3. School of Chemical Engineering, Sungkyunkwan University, Suwon 300 (Korea, Republic of)
Publication Date:
OSTI Identifier:
22253216
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 26; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ANODES; CAPACITY; CLATHRATES; ELECTRIC BATTERIES; GRAPHITE; LAYERS; LITHIUM IONS