Vanadium Carbide (V<sub>4</sub>C<sub>3</sub>) MXene as an Efficient Anode for Li-Ion and Na-Ion Batteries
Qiong Peng,
Javed Rehman,
Kamel Eid,
Ayman S. Alofi,
Amel Laref,
Munirah D. Albaqami,
Reham Ghazi Alotabi,
Mohamed F. Shibl
Affiliations
Qiong Peng
Institution of Condensed Physics & College of Physics and Electronics Engineering, Hengyang Normal University, Hengyang 421002, China
Javed Rehman
Department of Physics, Balochistan University of Information Technology, Engineering and Management Sciences (BUITEMS), Quetta 87300, Baluchistan, Pakistan
Kamel Eid
Gas Processing Center (G.P.C.), College of Engineering, Qatar University, Doha 2713, Qatar
Ayman S. Alofi
Physics Department, College of Science, Taibah University, Medina 42353, Saudi Arabia
Amel Laref
Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
Munirah D. Albaqami
Chemistry Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
Reham Ghazi Alotabi
Chemistry Department, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
Mohamed F. Shibl
Center for Sustainable Development, College of Arts and Sciences, Qatar University, Doha 2713, Qatar
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.
