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Hydrogen Storage on Li Coated BC 3 Honeycomb Sheet
Author(s) -
Zhang Yafei,
Cheng Xinlu
Publication year - 2017
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201600911
Subject(s) - chemistry , hydrogen storage , gravimetric analysis , adsorption , honeycomb , molecule , hydrogen , density functional theory , energy storage , chemical engineering , composite material , organic chemistry , computational chemistry , thermodynamics , power (physics) , materials science , physics , engineering
Using density functional theory, we investigated the hydrogen storage capacity of Li coated BC 3 honeycomb sheet. Our result indicates 18 H 2 molecules can be adsorbed on BC 3 Li 6 complex with a storage gravimetric density of 9.68 wt% and the average adsorption energy reaches 0.206 eV / H 2 . This is desirable for absorbing and desorbing H 2 molecules at near ambient conditions.
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