Journal
CHEMICAL PHYSICS LETTERS
Volume 784, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2021.139097
Keywords
Lithium-ion batteries; Sodium-ion batteries; T-silicene; Anode materials; DFT
Funding
- Fund of State Key Laboratory of IPOC (BUPT) [IPOC2019ZZ04, IPOC2019A013]
- Open-Foundation of Key Laboratory of Laser Device Technology, China North Industries Group Corporation Limited [KLLDT202001]
Ask authors/readers for more resources
The research demonstrates the potential application and advantages of T-silicene as an anode material in lithium-ion batteries and sodium-ion batteries, including lower lattice change rate and open-circuit voltage, appropriate storage capacity, as well as good electrical conductivity and low diffusion barrier.
In recent years, various high-performance electrode materials of alkali metal ion batteries have emerged one after another. Here, for the first time, we used first-principles to explore the possibility of using T-silicene as an anode material in lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs). Firstly, we identified T-silicene is thermally stable at 300 K, then calculated and compared the interaction of Li/Na ions on T-silicene, also gradually increased the ions concentration until the full saturation of the surfaces is achieved. Our research demonstrates that not only the T-silicene lattice change of the configuration is 2.59%/1.21% for Li/Na, which are much lower than other 2D silicene, but also average open-circuit voltage is low as 0.173/0.192 V for Li/Na. Additionally, T-silicene has suitable storage capacity, good electric conductivity, and a low diffusion barrier. As has been stated, our results contribute to the potential application of T-silicene for LIBs/NIBs.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available