论文标题
黑磷和磷/石墨烯异质结构作为碱金属（LI，NA和K）离子电池
Black Phosphorus and Phosphorene/Graphene Heterostructure as Alkali metal (Li, Na, and K) Ion Battery
论文作者
论文摘要
黑色磷是一种分层材料，其高容量为2596 mAh/g作为电池电极，但是由于锂化过程中的大容量膨胀而遭受破裂。这些裂纹会导致整个材料中电气接触的丧失，因此在充电和放电的进一步循环后，容量消失了。一个人需要一种支持材料，该材料不会随磷的静态裂解，以保持材料的电气接触。在这里，我们认为将磷酸夹在石墨烯层之间。通过使用密度函数理论，我们计算了黑磷和磷酸透明烯异质结构的静脉，鸡蛋和腐蚀的电压，这与实验结果很好地进行了比较。我们发现黑色磷和磷酸 - 透明烯异质结构的低压，因此这些材料可以用作锂离子，钠离子和钾离子电池中的阳极电极。
Black phosphorous is a layered material having a high capacity of 2596 mAh/g as a battery electrode, however it suffers from cracking due to high volume expansion during lithiation. These cracks causes loss of electrical contact in the whole material, therefore capacity fades after further cycles of charging and discharging. One needs a support material which would not crack with lithiation of phosphorous in order to keep the electrical contact of the material. Here, we considered phosphorene sandwiched between graphene layers. By using density functional theory, we calculated voltages of lithiation, sodiation, and potasiation of black phosphorous and phosphorene-graphene heterostructure which compares well with the experimental results. We found low voltages for both black phosphorous and phosphorene-graphene heterostructure therefore these materials can be used as an anode electrode in lithium-ion, sodium-ion, and potassium-ion batteries.
