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Effect of CuO on the electrochemical activity of Li_2MnO_3

机译:CuO对Li_2MnO_3电化学活性的影响

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摘要

A new effect to induce the electrochemical activity of Li_2MnO_3 was found. The samples prepared by co-precipitation consisted of Li_2MnO_3 and CuO phases. The particle size of Li_2MnO_3 was much smaller than that of CuO by using TEM observation equipped with EDX. The specific charge and discharge capacity increased with the content of CuO, while maintaining the electrochemical characters of Li_2MnO_3. The ab-initio electronic structure calculation was carried out and the densities of states (DOS) were obtained for Cu-containing Li_2MnO_3 supercell and Li_2MnO_3. On basis of experimental and calculated results, a partial replacing Mn by Cu could improve the electrical property of Li_2MnO_3. A possible reason of the effect is that coexisting with CuO depressed the kinetic barrier of the electrode reaction for Li_2MnO_3.
机译:发现了诱导Li_2MnO_3电化学活性的新作用。共沉淀制备的样品由Li_2MnO_3和CuO相组成。通过配备EDX的TEM观察,Li_2MnO_3的粒径比CuO的粒径小得多。随着CuO含量的增加,比充放电容量增加,同时保持Li_2MnO_3的电化学特性。进行了从头算电子结构的计算,并获得了含铜的Li_2MnO_3超级电池和Li_2MnO_3的态密度(DOS)。根据实验和计算结果,用Cu部分取代Mn可以改善Li_2MnO_3的电性能。这种作用的可能原因是与CuO共存降低了Li_2MnO_3电极反应的动力学势垒。

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  • 会议地点 Boston MA(US)
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    Department of Chemistry, Materials Engineering, Kansai University, Suita, Osaka 564-8680, Japan;

    Department of Chemistry, Materials Engineering, Kansai University, Suita, Osaka 564-8680, Japan;

    Department of Science and Engineering, IwakiMeisei University, Fukushima 970-8551, Japan;

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