Extended π-conjugated N-containing heteroaromatic hexacarboxylate organic anode for high performance

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Organic electrode materials are desirable for green and sustainable Li-ion batteries(LIBs)due to their light-weight,low cost,abundance and multi-electron transfer reactions during battery operation.How-ever,the successful utilization of organic electrodes is hindered by their poor electrical conductivity and low cyclic stability.Herein,a facile synthesis of π-conjugated N-containing heteroaromatic hexacarboxy-late(Li6-HAT)compound and its electrochemical performance as an anode material in LIBs is reported.The as-synthesized Li6-HAT electrode renders an ultrahigh initial capacity of 1126.3 mAh g-1 at the cur-rent density of 100 mA g-1.Moreover,π-conjugated N-containing heteroaromatic center provide excel-lent reversibility of(de)lithiation process,resulting in excellent capacity retention.Furthermore,a combi-nation of density functional theory(DFT)calculations,in-situ Fourier transform infrared(FTIR)and ex-situ X-ray photoelectron spectroscopy(XPS)characterization reveal that the π-conjugated nitrogen and car-boxyl oxygen act as electrochemically active sites during the charge/discharge process.The current work provides novel insights into the charge storage mechanism of organic electrodes and opens up avenues for further development and utilization of organic electrodes in Li-ion batteries.
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