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Li2S-embedded Copper Metal-Organic Framework Cathode with Superior Electrochemical Performance for Li-S Batteries

Abstract

Li-S rechargeable batteries are attractive for electric transportation because of their low cost, environmentally friendliness, and superior energy density. However, the Li-S system has not yet to conquer the market, owing to its drawbacks, soluble polysulfide formation. To tackle this issue, we report here a strategy based on the use of microporous copper metal-organic framework named CuMOF as host material for sulfur immobilization via chemical bonds between sulfur and MOF structure. CuMOF has been obtained by simply chemical synthesis using copper salt and benzene-1, 3, 5-tricarboxylic acid as ligand. Then by melt-diffusion method, sulfur impregnated CuMOFS material was finally fabricated. As cathode materials for Li-S batteries, the CuMOFS cathode delivered 1051.3 mAh g-1 at 300th cycle at a charge/discharge current density of 200 mA g-1. It is worth noting that the main cathode structure can keep more than 19.3 wt% sulfur with the help of CuMOF hosting, which dramatically decrease the capacity fading and improve coulombic efficiency during the prolonged charge/discharge cycling. The XPS spectra peaks of CuMOFS were assigned with the information from the density functional theory (DFT) calculations. Linear scaling DFT structure relaxation for a model >1000 atoms was carried out to exemplify the interactions between CuMOF framework and embedded Li2S. The excellent electrochemical performance can be attributed to the firmly confinement of sulfur/polysulfides by strong chemical interactions between carbon and sulfur species in CuMOF host.

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Publication details

The article was received on 14 May 2018, accepted on 12 Jul 2018 and first published on 12 Jul 2018


Article type: Paper
DOI: 10.1039/C8NJ02370K
Citation: New J. Chem., 2018, Accepted Manuscript
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    Li2S-embedded Copper Metal-Organic Framework Cathode with Superior Electrochemical Performance for Li-S Batteries

    Y. Feng, Y. Zhang, G. Du, J. Zhang, M. Liu and X. Qu, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C8NJ02370K

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