| Autor: |
Mehwish Khalid Butt, Javed Rehman, Zhao Yang, Shuanhu Wang, Ahmed El-Zatahry, Ayman S. Alofi, Munirah D. Albaqami, Reham Ghazi Alotabi, Amel Laref, Kexin Jin, Mohamed F. Shibl |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Physical chemistry chemical physics : PCCP. 24(48) |
| ISSN: |
1463-9084 |
| Popis: |
The high demand for renewable and clean energy has driven the exploration of advanced energy storage systems. Sodium-ion batteries (SIBs) are considered to be potential substitutes for Li-ion batteries (LIBs) because they are manufactured from raw materials that are cheap, less toxic, and abundantly available. Recent developments have demonstrated that two-dimensional (2D) materials have gained increasing interest as electrode candidates for efficient SIBs because of their enormous surface area and sufficient accommodating sites for the storage of Na ions. Herein, we explore the binding and diffusion mechanisms of Na on a 2D SnS sheet using density functional theory (DFT). The outcomes reveal that Na has a strong binding strength with SnS as well as charge transfer from Na to SnS, which affirms an excellent electrochemical performance. A transition from semiconducting (1.4 eV band gap) to metallic has been noted in the electronic structure after loading a minor amount of Na. In addition, a low open-circuit voltage (OCV) of 0.87 V and a high storage capacity of 357 mA h g |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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