School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Shandanan Street 27, Jinan 250100, China.
Phys Chem Chem Phys. 2019 Dec 21;21(47):26212-26218. doi: 10.1039/c9cp05251h. Epub 2019 Nov 25.
Due to the intrinsic safety and high abundance of potassium, the development of potassium-ion batteries has generated a surge of interest. Currently, the key challenge in this field is the lack of suitable anode materials. Here, based on first-principles calculations, we report the identification of a promising candidate in the PC monolayer. The PC monolayer is a semiconductor, but with a rather small band gap, and becomes metallic upon adsorbing K atoms, suggesting its good electrical conductivity during the battery cycle. It exhibits a high storage capacity of 781 mA h g, superior to those of many other reported anode materials for potassium-ion batteries. Meanwhile, it shows a low diffusion energy barrier and open circuit voltage. Moreover, the PC monolayer has a relatively small Young's modulus, showing potential for application in flexible batteries. These appealing properties render the PC monolayer an excellent anode candidate for potassium-ion batteries.
由于钾的固有安全性和高丰度，钾离子电池的发展引起了极大的关注。目前，该领域的关键挑战是缺乏合适的阳极材料。在这里，我们基于第一性原理计算，报告了在 PC 单层中发现的一种很有前途的候选材料。PC 单层是一种半导体，但带隙相当小，并且在吸附 K 原子后变成金属，这表明其在电池循环过程中具有良好的导电性。它表现出 781 mA h g 的高存储容量，优于许多其他报道的钾离子电池阳极材料。同时，它显示出低的扩散能垒和开路电压。此外，PC 单层具有相对较小的杨氏模量，显示出在柔性电池中的应用潜力。这些吸引人的性质使得 PC 单层成为钾离子电池的优秀阳极候选材料。
