• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Current Graphene Science >Adsorption of Sodium on Doped Graphene: A vdW-DF Study | Bentham Science
【24h】

Adsorption of Sodium on Doped Graphene: A vdW-DF Study | Bentham Science

机译：vdW-DF研究在掺杂的石墨烯上吸附钠边沁科学

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Background: Due to its very low cost and availability of sodium, the sodium ion batteries(SIBs) can be the best alternative to the existing lithium-ion batteries (LIBs). The search for a novelanode candidate is the key hurdle associated with SIBs.Objective and Method: A novel anode contender, Be-doped graphene, is proposed for the SIBsthrough our first-principles calculations.Results: The integration of Be can cause a 6 times increment in the adsorption of Na as revealed byM06-2X calculations. The sodiation potential is in a good range in order to evade the security concernscaused by the dendrite formation. A total of 10 Na ions are attached easily around on beryllium(Be) centre in graphene sheet causing an enhancement in the Na storage capacity. The value of storagecapacity calculated for Na8BeC17 is 2.7 times that of graphitic carbon in LIBs (~370 mAh/g), and 3.35times that of hard carbon in SIBs (300 mAh/g).Conclusion: These results show the novelty and promising potential of the Be-doped graphene to beused as anode material for SIBs.
机译：背景：由于钠离子电池的成本非常低廉，因此钠离子电池（SIB）可以替代现有锂离子电池（LIB）的最佳选择。目的和方法：通过我们的第一性原理计算，为SIBs提出了一种新颖的阳极竞争​​者Be掺杂的石墨烯。结果：Be的积分可以引起6倍。 M06-2X计算显示，Na的吸附量增加。为了避免由枝晶形成所引起的安全性顾虑，其潜在的加工潜力很大。总共10个Na离子很容易附着在石墨烯片的铍（Be）中心周围，从而提高了Na的储存能力。 Na8BeC17的储存容量值是LIB中石墨碳的2.7倍（约370 mAh / g），是SIBs中硬碳的300.35倍（300 mAh / g）。结论：这些结果显示出新颖性和潜力掺杂的石墨烯用作SIB的阳极材料。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号