Biphenylene and phagraphene as lithium ion battery anode materials

Ferguson, David, Searles, Debra J. and Hankel, Marlies (2017) Biphenylene and phagraphene as lithium ion battery anode materials. ACS Applied Materials & Interfaces, 9 24: 20577-20584. doi:10.1021/acsami.7b04170


Author Ferguson, David
Searles, Debra J.
Hankel, Marlies
Title Biphenylene and phagraphene as lithium ion battery anode materials
Journal name ACS Applied Materials & Interfaces   Check publisher's open access policy
ISSN 1944-8252
1944-8244
Publication date 2017-06-21
Year available 2017
Sub-type Article (original research)
DOI 10.1021/acsami.7b04170
Open Access Status Not yet assessed
Volume 9
Issue 24
Start page 20577
End page 20584
Total pages 8
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Subject 2500 Materials Science
Abstract We present results of density functional theory calculations on the lithium (Li) ion storage capacity of biphenylene (BP) membrane and phagraphene (PhG) which are two-dimensional defected-graphene-like membranes. Both membranes show a larger capacity than graphene, LiC and LiC compared to LiC. We find that Li is very mobile on these materials and does not interact as strongly with the membranes. In the case of BP we also investigated the possible volume expansion on Li insertion. We find a 11% expansion, which is very similar to the one found in graphite. Our findings show that both membranes are suitable materials for lithium ion battery anodes.
Formatted abstract
We present results of density functional theory calculations on the lithium (Li) ion storage capacity of biphenylene (BP) membrane and phagraphene (PhG) which are two-dimensional defected-graphene-like membranes. Both membranes show a larger capacity than graphene, Li2C6 and Li1.5C6 compared to LiC6. We find that Li is very mobile on these materials and does not interact as strongly with the membranes. In the case of BP we also investigated the possible volume expansion on Li insertion. We find a 11% expansion, which is very similar to the one found in graphite. Our findings show that both membranes are suitable materials for lithium ion battery anodes.
Keyword 2D materials
Anode material
DFT
Graphene
Lithium ion battery
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status UQ

 
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