Journal of East China Normal University(Natural Sc ›› 2015, Vol. 2015 ›› Issue (3): 105-115.doi: 10.3969/j.issn.1000-5641.2015.03.013

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Characterization of and insight into the electrochemistry of MoS2

ZHANG Xian-hui,CHEN Zhen-lian,CHEN Xiao-bo, LI Jun   

  • Received:2014-03-27 Online:2015-05-25 Published:2015-05-28

Abstract: By combining experimental methods with first-principles calculations this article reports the determination of the structural characters of MoS2 in the first discharging and charging cycling, where the first stage phase transformation occurs.The significant voltage plateau at 1.1 V is attributed to lithium
insertion on octahedral vacancy sites of 2H-Lix MoS2 with lithium concentration (x)up to 0.56, which corresponds with the calculated voltage and phase stability of MoS$_{2}$. However, the ensuing amorphization for $x$ over 1.0 immediately removes the plateau character from the charging curve. Furthermore, we offer a comparison to LiCoO2 to investigate the physical mechanism of the anode and cathode voltaic

Key words: lithium-ion batteries, MoS2, structural characters, electrochemistry, first-principles calculations

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