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Two-Dimensional Y2C Electride: A Promising Anode Material for Na-Ion Batteries
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2016-08-11 00:00:00 , DOI: 10.1021/acs.jpcc.6b06087
Jianhua Hou 1, 2 , Kaixiong Tu 2 , Zhongfang Chen 2
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2016-08-11 00:00:00 , DOI: 10.1021/acs.jpcc.6b06087
Jianhua Hou 1, 2 , Kaixiong Tu 2 , Zhongfang Chen 2
Affiliation
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By means of first-principles computations, we explored the potential of using Y2C monolayer as anode material for rechargeable Na-ion batteries (NIBs). As a two-dimensional electride material, Y2C monolayer is metallic and has a strong in-plane stiffness. Significant interactions between Y2C monolayer and Na atom ensure its high theoretical specific capacity of 564 mA·h/g. The Y2C monolayer also has high Na mobility and rather small average open-circuit voltages. All these characteristics suggest that the Y2C monolayer could be a promising anode material for NIBs.
中文翻译：
二维Y 2 C电极：一种有望用于钠离子电池的阳极材料
通过第一性原理计算，我们探索了使用Y 2 C单层作为可再充电Na离子电池（NIB）阳极材料的潜力。作为二维电子材料，Y 2 C单层是金属的，并且具有很强的面内刚度。Y 2 C单层与Na原子之间的显着相互作用确保了其较高的理论比容量564 mA·h / g。Y 2 C单层还具有高的Na迁移率和相当小的平均开路电压。所有这些特征表明，Y 2 C单层可能是有前途的NIB阳极材料。
更新日期：2016-08-11
中文翻译：
二维Y 2 C电极：一种有望用于钠离子电池的阳极材料
通过第一性原理计算，我们探索了使用Y 2 C单层作为可再充电Na离子电池（NIB）阳极材料的潜力。作为二维电子材料，Y 2 C单层是金属的，并且具有很强的面内刚度。Y 2 C单层与Na原子之间的显着相互作用确保了其较高的理论比容量564 mA·h / g。Y 2 C单层还具有高的Na迁移率和相当小的平均开路电压。所有这些特征表明，Y 2 C单层可能是有前途的NIB阳极材料。
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