一种高容量和高扩散性能的钠离子电池负极材料:石墨炔和石墨二炔

来源 :第八届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户：JK0803_zhangke

【摘要】

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本文运用第一性计算研究了石墨炔和石墨二炔的钠吸附和扩散动力学性质.石墨炔(GY)和石墨二炔(GDY)分别是由一个和两个乙炔键连接的碳六元环单原子层结构.石墨炔和石墨二炔的一是由sp和sp2杂化碳原子组成的种孔洞结构.GY和GDY的最大钠存储的化学计量比分别为NaC4和NaC3,这远超过了钠嵌入石墨形成二阶插层化合物NaC12的上限,也超过锂嵌入石墨二炔形成LiC6.只要克服约0.4eV的能垒,钠离

【作者】

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吕晓军许真铭李劼陈江安刘庆生

【机构】

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中南大学冶金与环境学院江西理工大学资源与环境工程学院

【出处】

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第八届国际分子模拟与信息技术应用学术会议

【发表日期】

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2016年4期

【关键词】

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钠离子电池负极材料石墨炔石墨二炔吸附性能扩散性能

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一种高容量和高扩散性能的钠离子电池负极材料:石墨炔和石墨二炔

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