Vanadium Carbide (V<sub>4</sub>C<sub>3</sub>) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries

oleh: Qiong Peng, Javed Rehman, Kamel Eid, Ayman S. Alofi, Amel Laref, Munirah D. Albaqami, Reham Ghazi Alotabi, Mohamed F. Shibl

Format: Article
Diterbitkan: MDPI AG 2022-08-01

Deskripsi

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 V<sub>4</sub>C<sub>3</sub> MXene as an anode for LIBs and SIBs. The results predict the outstanding electrical conductivity when Li/Na is loaded on V<sub>4</sub>C<sub>3</sub>. Both Li<sub>2<i>x</i></sub>V<sub>4</sub>C<sub>3</sub> and Na<sub>2x</sub>V<sub>4</sub>C<sub>3</sub> (<i>x</i> = 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<sup>−1</sup>) and a good cycling performance. Furthermore, there was a low diffusion barrier of 0.048 eV for Li<sub>0.0625</sub>V<sub>4</sub>C<sub>3</sub> and 0.023 eV for Na<sub>0.0625</sub>V<sub>4</sub>C<sub>3</sub>, implying the prompt intercalation/extraction of Li/Na. Based on the findings of the current study, V<sub>4</sub>C<sub>3</sub>-based materials may be utilized as an anode for Li/Na-ion batteries in future applications.