Loading...
Please wait, while we are loading the content...
Similar Documents
YS2 monolayer as a high-efficient anode material for rechargeable Li-ion and Na-ion batteries
| Content Provider | Semantic Scholar |
|---|---|
| Author | Guo, Yanhui Wu, Yi-Yuan Zhang, Junrong Lu, Zhansheng Li, Weidong Li, Xiuping Zhang, Ping Wang, Bao-Tian |
| Copyright Year | 2020 |
| Abstract | Abstract Here, we propose a new two-dimensional (2D) monolayer YS2 and investigate its properties as electrode material for Li-ion and Na-ion batteries (LIBs and NIBs), by combining the density functional theory (DFT) and the crystal structure prediction techniques. The results of phonon dispersion and ab-initio molecular dynamics (AIMD) simulations confirm that it is dynamically and thermally stable. The adsorption energies of Li and Na on YS2 are ā2.038 and ā1.939 eV, respectively. Besides, the superior electrical conductivity is maintained during the whole lithiation/sodiumation process. The calculated diffusion energy barriers for Li and Na on this YS2 monolayer are 0.33 and 0.24 eV, respectively, demonstrating a fast ion transfer rate. The theoretical specific capacities for Li and Na adatoms on YS2 are both 350 mA h gā1, comparable to the graphite electrode. These features indicate that 2D YS2 monolayer could be considered as a promising electrode material for both LIBs and NIBs. |
| Starting Page | 115187 |
| Ending Page | 115187 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.1016/j.ssi.2019.115187 |
| Volume Number | 345 |
| Alternate Webpage(s) | https://matery.gitee.io/localcopy/76-SSI-yanhuiguo.pdf |
| Alternate Webpage(s) | https://doi.org/10.1016/j.ssi.2019.115187 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
