MoS2的电化学表征和探究(英).pdfVIP

3 ( ) No. 3 2015 5 Journal of East China Normal University (Natural Science) May 2015 Article ID: 1000-5641(2015)03-0105-11 Characterization of and insight into the electrochemistry of MoS2 ZHANG Xian-hui, CHEN Zhen-lian, CHEN Xiao-bo, LI Jun (Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo Zhejiang 315201, China) Abstract: By combining experimental methods with first-principles calculations this arti- cle 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-Li MoS with lithium concentration (x) up to 0.56, which corresponds with the cal- x 2 culated voltage and phase stability of MoS2 . 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 Document code: A DOI: 10.3969/j.issn.1000-5641.2015.03.013 MoS 2 , , , ( , 315201) : , MoS 2 . 1.1 V 0.56, 2H , MoS2 . 1.0, , .