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Non‐Conjugated Dicarboxylate Anode Materials for Electrochemical Cells
Author(s) -
Ma Chao,
Zhao Xiaolin,
Kang Litao,
Wang KaiXue,
Chen JieSheng,
Zhang Wenqing,
Liu Jianjun
Publication year - 2018
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201801654
Subject(s) - conjugated system , anode , electrochemistry , antibonding molecular orbital , steric effects , unpaired electron , double bond , carboxylate , chemistry , ion , materials science , photochemistry , organic chemistry , electron , molecule , polymer , electrode , atomic orbital , physics , quantum mechanics
Classical organic anode materials for Na‐ion batteries are mostly based on conjugated carboxylate compounds, which can stabilize added electrons by the double‐bond reformation mechanism. Now, 1,4‐cyclohexanedicarboxylic acid (C 8 H 12 O 4 , CHDA) with a non‐conjugated ring (−C 6 H 10 −) connected with carboxylates is shown to undergo electrochemical reactions with two Na ions, delivering a high charge specific capacity of 284 mA h g −1 (249 mA h g −1 after 100 cycles), and good rate performance. First‐principles calculations indicate that hydrogen‐transfer‐mediated orbital conversion from antibonding π* to bonding σ stabilize two added electrons, and reactive intermediate with unpaired electron is suppressed by localization of σ‐bonds and steric hindrance. An advantage of CHDA as an anode material is good reversibility and relatively constant voltage. A large variety of organic non‐conjugated compounds are predicted to be promising anode materials for sodium‐ion batteries.