| 聚并苯掺杂C60作锂离子电池负极材料的理论与性能研究 |
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| 引用本文： | 赵艳玲,周德凤,潘秀梅,苏忠民,王荣顺.聚并苯掺杂C60作锂离子电池负极材料的理论与性能研究[J].高等学校化学学报,2002,23(7):1335-1338. |
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| 作者姓名： | 赵艳玲 周德凤 潘秀梅 苏忠民 王荣顺 |
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| 作者单位： | 东北师范大学化学学院, 功能材料化学研究所, 长春 130024 |
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| 基金项目： | 科技部科技型中小企业技术创新项目，00C26222200964， |
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| 摘 要： | 在AM1半经验方法水平上,对不同数目的Li+位于C60笼内和笼外时形成的复合物进行几何优化,PAS负极材料由于掺杂C60而吸附更多的Li+,并且Li+容易嵌入到C60中,从理论上解释了聚并苯(PAS)导电性能改善的原因,并对PAS中掺杂C60的最佳比例进行了预测.
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| 关 键 词： | C60 聚并苯 锂离子电池 AM1 |
| 文章编号： | 0251-0790(2002)07-1335-04 |
| 收稿时间： | 2001-07-27 |
Theoretical Studies on the Properties of Polyacene Doped with C60 as the Anode of Lithium Ion Battery |
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| ZHAO Yan-Ling,ZHOU De-Feng,PAN Xiu-Mei,SU Zhong-Min,WANG Rong-Shun .Theoretical Studies on the Properties of Polyacene Doped with C60 as the Anode of Lithium Ion Battery[J].Chemical Research In Chinese Universities,2002,23(7):1335-1338. |
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| Authors: | ZHAO Yan-Ling ZHOU De-Feng PAN Xiu-Mei SU Zhong-Min WANG Rong-Shun |
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| Institution: | Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, China |
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| Abstract: | According to semi empirical method of AM1, the compounds which are located inside or outside C 60 have been optimized. The results showed polyacenic semiconductor doped with C 60 could absorb much more lithium ion, and lithium ions are easy to inset C 60 . The reason of improvement of polyacenic semiconductor conducting properties was analyzed theoretically, and the best doping proportion of C 60 to polyacenic semiconductor was predicted. |
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| Keywords: | C 60 Polyacene Lithiumion battery AM1 |
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