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Journal of the Electrochemical Society, Vol.164, No.7, A1720-A1725, 2017
Introduction of Carbonyl Groups: An Approach to Enhance Electrochemical Performance of Conjugated Dicarboxylate for Li-Ion Batteries
A rational functionalization of conjugated dicarboxylate is reported here to enhance the cyclability and rate capability for Li-ion batteries. Introduction of carbonyl groups between aromatic rings is explored as an alternative way to extend p-conjugation. For the proof of concept, 4,4'-bis(lithiooxycarbonyl) benzil (Li-2-BZL) was synthesized and compared its lithium storage performance against lithium [1,1'-biphenyl]-4,4'-dicarboxylate (Li-2-BPDC). The Li-2-BZL electrode delivers a stable capacity of 165 mAh g(-1) even after 50 cycles at current density of 50 mAh g(-1) whereas, rapid capacity fading was observed in the case of Li-2-BPDC. Density functional theory (DFT) studies confirmed that the carbonyl groups in the Li-2-BZL to reduce the bandgap, thereby improving the elctrochemical lithium storage performance of Li-2-BZL electrode in comparision to that of Li-2-BPDC. (C) 2017 The Electrochemical Society. All rights reserved.