Characterization of and insight into the electrochemistry of MoS2

doi:10.3969/j.issn.1000-5641.2015.03.013

Abstract

Abstract: By combining experimental methods with first-principles calculations this article reports the determination of the structural characters of MoS₂in 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

CLC Number:

O646.21

ZHANG Xian-hui,CHEN Zhen-lian,CHEN Xiao-bo, LI Jun. Characterization of and insight into the electrochemistry of MoS2[J]. Journal of East China Normal University(Natural Sc, 2015, 2015(3): 105-115.

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