Vanadium Carbide (V4C3) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries
2022
Peng, Qiong | Rehman, Javed | Eid, Kamel | Alofi, Ayman S. | Laref, Amel | Albaqami, Munirah D. | Alotabi, Reham G. | Shibl, Mohamed F.
Li-ion batteries (LIBs) and Na-ion batteries (SIBs) are deemed green and efficient electrochemical energy storage and generation devices; meanwhile, acquiring a competent anode remains a serious challenge. Herein, the density-functional theory (DFT) was employed to investigate the performance of V4C3 MXene as an anode for LIBs and SIBs. The results predict the outstanding electrical conductivity when Li/Na is loaded on V4C3. Both Li2xV4C3 and Na2xV4C3 (x = 0.125, 0.5, 1, 1.5, and 2) showed expected low-average open-circuit voltages of 0.38 V and 0.14 V, respectively, along with a good Li/Na storage capacity of (223 mAhg?1) and a good cycling performance. Furthermore, there was a low diffusion barrier of 0.048 eV for Li0.0625V4C3 and 0.023 eV for Na0.0625V4C3, implying the prompt intercalation/extraction of Li/Na. Based on the findings of the current study, V4C3-based materials may be utilized as an anode for Li/Na-ion batteries in future applications. 2022 by the authors.
显示更多 [+] 显示较少 [-]This work was financially funded by the authors express their gratitude for the support of the Researchers Supporting Project Number (RSP-2021/267) King Saud University, Riyadh, Saudi Arabia. This work is also supported by Scientific Research Fund of Hunan Provincial Education Department (No. 21B0637).
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